USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= 0.558 X(o=-11,f=-11) USER MOD Set 1.2: A 22 ASN : amide:sc= -9.43! C(o=-11!,f=-11!) USER MOD Set 1.3: A 80 HIS : no HD1:sc= -0.538 X(o=-11,f=-10) USER MOD Set 1.4: A 81 THR OG1 : rot -66:sc= -1.55 USER MOD Set 2.1: A 53 SER OG : rot -20:sc= -0.856 USER MOD Set 2.2: A 56 LYS NZ :NH3+ -178:sc= -7.58! (180deg=-7.66!) USER MOD Set 3.1: A 36 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-1.8) USER MOD Set 3.2: A 66 GLN : amide:sc= -0.0711 K(o=-1.9,f=-3.3) USER MOD Set 4.1: A 24 HIS : no HD1:sc= -2.34 K(o=-3.6,f=-5) USER MOD Set 4.2: A 74 HIS : no HD1:sc= -1.07 K(o=-3.6,f=-4.7) USER MOD Set 4.3: A 76 GLN : amide:sc= -0.227 K(o=-3.6,f=-5.9!) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.476 (180deg=-1.97!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -4.58 K(o=-4.6,f=-7.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -10.5! C(o=-10!,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= -1.02 (180deg=-4.18!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.00149 X(o=0.0015,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.32) USER MOD Single : A 35 ASN : amide:sc= -0.679 K(o=-0.68,f=-0.13) USER MOD Single : A 38 GLN : amide:sc= -0.1 K(o=-0.1,f=-3.1!) USER MOD Single : A 39 ASN : amide:sc= -0.0504 K(o=-0.05,f=-0.94) USER MOD Single : A 45 HIS : no HD1:sc= -5.79! K(o=-5.8!,f=-2.3) USER MOD Single : A 48 MET CE :methyl -178:sc= -7.31! (180deg=-7.36!) USER MOD Single : A 49 GLN : amide:sc= 0.0783 X(o=0.078,f=0) USER MOD Single : A 58 GLN : amide:sc= -3.17 K(o=-3.2,f=-5.8!) USER MOD Single : A 60 MET CE :methyl -166:sc= -0.0224 (180deg=-0.2) USER MOD Single : A 61 MET CE :methyl -140:sc= -0.351 (180deg=-3.01) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.26) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 73 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -2.47! K(o=-2.5!,f=-1.3) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -3.21! K(o=-3.2!,f=-1.4) USER MOD Single : A 88 ASN : amide:sc= -0.096 X(o=-0.096,f=-0.08) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc=-0.00827 X(o=-0.0083,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.147 -21.598 4.393 1.00 0.00 N ATOM 2 CA MET A 1 1.600 -20.607 5.356 1.00 0.00 C ATOM 3 C MET A 1 1.284 -19.284 4.667 1.00 0.00 C ATOM 4 O MET A 1 2.184 -18.573 4.220 1.00 0.00 O ATOM 5 CB MET A 1 2.629 -20.389 6.467 1.00 0.00 C ATOM 6 CG MET A 1 2.437 -21.307 7.663 1.00 0.00 C ATOM 7 SD MET A 1 3.498 -22.763 7.598 1.00 0.00 S ATOM 8 CE MET A 1 5.112 -21.999 7.458 1.00 0.00 C ATOM 0 H1 MET A 1 2.353 -22.488 4.890 1.00 0.00 H new ATOM 0 H2 MET A 1 1.449 -21.774 3.642 1.00 0.00 H new ATOM 0 H3 MET A 1 3.022 -21.226 3.972 1.00 0.00 H new ATOM 0 HA MET A 1 0.669 -20.991 5.773 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.629 -20.541 6.060 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.575 -19.353 6.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.643 -20.753 8.579 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.395 -21.623 7.710 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.852 -22.615 7.969 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.381 -21.906 6.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.087 -21.009 7.914 1.00 0.00 H new ATOM 20 N TYR A 2 -0.003 -18.957 4.585 1.00 0.00 N ATOM 21 CA TYR A 2 -0.436 -17.718 3.951 1.00 0.00 C ATOM 22 C TYR A 2 -1.429 -16.972 4.837 1.00 0.00 C ATOM 23 O TYR A 2 -2.291 -17.580 5.471 1.00 0.00 O ATOM 24 CB TYR A 2 -1.065 -18.006 2.586 1.00 0.00 C ATOM 25 CG TYR A 2 -0.302 -19.025 1.771 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.813 -18.656 1.031 1.00 0.00 C ATOM 27 CD2 TYR A 2 -0.698 -20.356 1.742 1.00 0.00 C ATOM 28 CE1 TYR A 2 1.514 -19.584 0.285 1.00 0.00 C ATOM 29 CE2 TYR A 2 -0.002 -21.291 1.000 1.00 0.00 C ATOM 30 CZ TYR A 2 1.103 -20.900 0.273 1.00 0.00 C ATOM 31 OH TYR A 2 1.798 -21.828 -0.468 1.00 0.00 O ATOM 0 H TYR A 2 -0.762 -19.533 4.949 1.00 0.00 H new ATOM 0 HA TYR A 2 0.442 -17.088 3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -2.085 -18.361 2.733 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.129 -17.076 2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.138 -17.626 1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.564 -20.665 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 2 2.379 -19.280 -0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.322 -22.323 0.989 1.00 0.00 H new ATOM 0 HH TYR A 2 1.378 -22.708 -0.367 1.00 0.00 H new ATOM 41 N GLY A 3 -1.298 -15.651 4.876 1.00 0.00 N ATOM 42 CA GLY A 3 -2.184 -14.836 5.686 1.00 0.00 C ATOM 43 C GLY A 3 -1.425 -13.860 6.557 1.00 0.00 C ATOM 44 O GLY A 3 -1.826 -12.705 6.700 1.00 0.00 O ATOM 0 H GLY A 3 -0.591 -15.128 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.865 -14.287 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.796 -15.482 6.315 1.00 0.00 H new ATOM 48 N LYS A 4 -0.318 -14.318 7.132 1.00 0.00 N ATOM 49 CA LYS A 4 0.499 -13.463 7.981 1.00 0.00 C ATOM 50 C LYS A 4 1.077 -12.314 7.181 1.00 0.00 C ATOM 51 O LYS A 4 1.500 -11.307 7.748 1.00 0.00 O ATOM 52 CB LYS A 4 1.622 -14.261 8.643 1.00 0.00 C ATOM 53 CG LYS A 4 2.367 -13.487 9.718 1.00 0.00 C ATOM 54 CD LYS A 4 1.767 -13.723 11.094 1.00 0.00 C ATOM 55 CE LYS A 4 0.685 -12.704 11.415 1.00 0.00 C ATOM 56 NZ LYS A 4 -0.488 -13.330 12.085 1.00 0.00 N ATOM 0 H LYS A 4 0.031 -15.270 7.026 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.142 -13.058 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.203 -15.166 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.331 -14.578 7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.415 -13.785 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.339 -12.422 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.347 -14.728 11.141 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.552 -13.670 11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.098 -11.927 12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.360 -12.218 10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.202 -12.601 12.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.898 -14.054 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.184 -13.772 12.976 1.00 0.00 H new ATOM 70 N LEU A 5 1.059 -12.441 5.856 1.00 0.00 N ATOM 71 CA LEU A 5 1.548 -11.374 5.005 1.00 0.00 C ATOM 72 C LEU A 5 0.876 -10.066 5.413 1.00 0.00 C ATOM 73 O LEU A 5 1.410 -8.980 5.190 1.00 0.00 O ATOM 74 CB LEU A 5 1.275 -11.686 3.532 1.00 0.00 C ATOM 75 CG LEU A 5 2.483 -11.522 2.613 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.056 -10.120 2.744 1.00 0.00 C ATOM 77 CD2 LEU A 5 3.544 -12.562 2.942 1.00 0.00 C ATOM 0 H LEU A 5 0.715 -13.263 5.359 1.00 0.00 H new ATOM 0 HA LEU A 5 2.627 -11.281 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.911 -12.710 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.475 -11.035 3.179 1.00 0.00 H new ATOM 0 HG LEU A 5 2.161 -11.672 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.917 -10.016 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.296 -9.389 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.366 -9.949 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.399 -12.432 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.866 -12.439 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.129 -13.561 2.807 1.00 0.00 H new ATOM 89 N ASN A 6 -0.299 -10.195 6.035 1.00 0.00 N ATOM 90 CA ASN A 6 -1.047 -9.044 6.503 1.00 0.00 C ATOM 91 C ASN A 6 -0.270 -8.302 7.578 1.00 0.00 C ATOM 92 O ASN A 6 -0.145 -7.080 7.529 1.00 0.00 O ATOM 93 CB ASN A 6 -2.402 -9.475 7.039 1.00 0.00 C ATOM 94 CG ASN A 6 -3.228 -8.308 7.549 1.00 0.00 C ATOM 95 OD1 ASN A 6 -3.451 -8.169 8.751 1.00 0.00 O ATOM 96 ND2 ASN A 6 -3.687 -7.463 6.633 1.00 0.00 N ATOM 0 H ASN A 6 -0.747 -11.092 6.223 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.202 -8.371 5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.953 -9.988 6.251 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.257 -10.193 7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.249 -6.660 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.478 -7.617 5.647 1.00 0.00 H new ATOM 103 N ASP A 7 0.271 -9.047 8.542 1.00 0.00 N ATOM 104 CA ASP A 7 1.059 -8.443 9.610 1.00 0.00 C ATOM 105 C ASP A 7 2.084 -7.494 9.002 1.00 0.00 C ATOM 106 O ASP A 7 2.389 -6.438 9.557 1.00 0.00 O ATOM 107 CB ASP A 7 1.759 -9.522 10.440 1.00 0.00 C ATOM 108 CG ASP A 7 1.365 -9.472 11.904 1.00 0.00 C ATOM 109 OD1 ASP A 7 0.160 -9.313 12.190 1.00 0.00 O ATOM 110 OD2 ASP A 7 2.264 -9.590 12.764 1.00 0.00 O ATOM 0 H ASP A 7 0.178 -10.061 8.603 1.00 0.00 H new ATOM 0 HA ASP A 7 0.396 -7.886 10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.515 -10.504 10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.839 -9.400 10.353 1.00 0.00 H new ATOM 115 N LEU A 8 2.586 -7.881 7.834 1.00 0.00 N ATOM 116 CA LEU A 8 3.550 -7.078 7.102 1.00 0.00 C ATOM 117 C LEU A 8 2.829 -6.092 6.194 1.00 0.00 C ATOM 118 O LEU A 8 3.341 -5.011 5.907 1.00 0.00 O ATOM 119 CB LEU A 8 4.475 -7.979 6.276 1.00 0.00 C ATOM 120 CG LEU A 8 5.476 -7.249 5.370 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.791 -6.730 4.115 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.154 -6.112 6.122 1.00 0.00 C ATOM 0 H LEU A 8 2.336 -8.756 7.373 1.00 0.00 H new ATOM 0 HA LEU A 8 4.155 -6.520 7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.031 -8.621 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.859 -8.631 5.656 1.00 0.00 H new ATOM 0 HG LEU A 8 6.242 -7.963 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.520 -6.216 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.362 -7.566 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.999 -6.035 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.859 -5.608 5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.401 -5.400 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.687 -6.513 6.984 1.00 0.00 H new ATOM 134 N LEU A 9 1.630 -6.466 5.742 1.00 0.00 N ATOM 135 CA LEU A 9 0.859 -5.593 4.871 1.00 0.00 C ATOM 136 C LEU A 9 0.354 -4.381 5.649 1.00 0.00 C ATOM 137 O LEU A 9 0.234 -3.285 5.107 1.00 0.00 O ATOM 138 CB LEU A 9 -0.317 -6.356 4.254 1.00 0.00 C ATOM 139 CG LEU A 9 -0.466 -6.211 2.737 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.757 -6.863 2.266 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.427 -4.747 2.325 1.00 0.00 C ATOM 0 H LEU A 9 1.182 -7.355 5.964 1.00 0.00 H new ATOM 0 HA LEU A 9 1.507 -5.246 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.208 -7.414 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.238 -6.016 4.727 1.00 0.00 H new ATOM 0 HG LEU A 9 0.374 -6.719 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.848 -6.751 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.744 -7.923 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.606 -6.383 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.535 -4.671 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.243 -4.211 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.525 -4.309 2.627 1.00 0.00 H new ATOM 153 N GLU A 10 0.062 -4.591 6.930 1.00 0.00 N ATOM 154 CA GLU A 10 -0.431 -3.523 7.795 1.00 0.00 C ATOM 155 C GLU A 10 0.511 -2.323 7.783 1.00 0.00 C ATOM 156 O GLU A 10 0.068 -1.175 7.761 1.00 0.00 O ATOM 157 CB GLU A 10 -0.602 -4.036 9.226 1.00 0.00 C ATOM 158 CG GLU A 10 -1.934 -4.727 9.468 1.00 0.00 C ATOM 159 CD GLU A 10 -3.100 -3.759 9.469 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.391 -3.179 10.536 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.725 -3.580 8.401 1.00 0.00 O ATOM 0 H GLU A 10 0.159 -5.495 7.393 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.399 -3.201 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.206 -4.732 9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.505 -3.199 9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.093 -5.481 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.900 -5.250 10.424 1.00 0.00 H new ATOM 168 N ASP A 11 1.814 -2.594 7.799 1.00 0.00 N ATOM 169 CA ASP A 11 2.818 -1.532 7.789 1.00 0.00 C ATOM 170 C ASP A 11 2.511 -0.504 6.702 1.00 0.00 C ATOM 171 O ASP A 11 2.596 0.702 6.930 1.00 0.00 O ATOM 172 CB ASP A 11 4.214 -2.123 7.573 1.00 0.00 C ATOM 173 CG ASP A 11 5.204 -1.665 8.625 1.00 0.00 C ATOM 174 OD1 ASP A 11 5.493 -0.451 8.681 1.00 0.00 O ATOM 175 OD2 ASP A 11 5.693 -2.521 9.394 1.00 0.00 O ATOM 0 H ASP A 11 2.199 -3.538 7.819 1.00 0.00 H new ATOM 0 HA ASP A 11 2.791 -1.030 8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.151 -3.211 7.586 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.578 -1.837 6.586 1.00 0.00 H new ATOM 180 N LEU A 12 2.148 -0.997 5.525 1.00 0.00 N ATOM 181 CA LEU A 12 1.820 -0.136 4.395 1.00 0.00 C ATOM 182 C LEU A 12 0.681 0.815 4.752 1.00 0.00 C ATOM 183 O LEU A 12 0.834 2.033 4.709 1.00 0.00 O ATOM 184 CB LEU A 12 1.454 -0.996 3.165 1.00 0.00 C ATOM 185 CG LEU A 12 0.128 -0.663 2.452 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.306 -0.689 0.941 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.965 -1.639 2.870 1.00 0.00 C ATOM 0 H LEU A 12 2.073 -1.995 5.327 1.00 0.00 H new ATOM 0 HA LEU A 12 2.694 0.468 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.261 -0.909 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.418 -2.039 3.479 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.171 0.343 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.642 -0.451 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.056 0.047 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.632 -1.681 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.893 -1.388 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.667 -2.654 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.118 -1.575 3.947 1.00 0.00 H new ATOM 199 N GLN A 13 -0.465 0.247 5.092 1.00 0.00 N ATOM 200 CA GLN A 13 -1.636 1.046 5.437 1.00 0.00 C ATOM 201 C GLN A 13 -1.307 2.095 6.496 1.00 0.00 C ATOM 202 O GLN A 13 -1.755 3.238 6.406 1.00 0.00 O ATOM 203 CB GLN A 13 -2.769 0.142 5.928 1.00 0.00 C ATOM 204 CG GLN A 13 -4.036 0.896 6.295 1.00 0.00 C ATOM 205 CD GLN A 13 -5.075 0.853 5.195 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.783 -0.141 5.034 1.00 0.00 O ATOM 207 NE2 GLN A 13 -5.168 1.933 4.428 1.00 0.00 N ATOM 0 H GLN A 13 -0.612 -0.761 5.137 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.958 1.568 4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.002 -0.587 5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.425 -0.417 6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.458 0.470 7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.787 1.934 6.514 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.560 2.734 4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.848 1.962 3.668 1.00 0.00 H new ATOM 216 N GLU A 14 -0.518 1.708 7.490 1.00 0.00 N ATOM 217 CA GLU A 14 -0.131 2.632 8.549 1.00 0.00 C ATOM 218 C GLU A 14 0.903 3.620 8.032 1.00 0.00 C ATOM 219 O GLU A 14 1.064 4.711 8.581 1.00 0.00 O ATOM 220 CB GLU A 14 0.417 1.873 9.759 1.00 0.00 C ATOM 221 CG GLU A 14 1.678 1.082 9.461 1.00 0.00 C ATOM 222 CD GLU A 14 2.303 0.490 10.710 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.692 -0.423 11.303 1.00 0.00 O ATOM 224 OE2 GLU A 14 3.403 0.940 11.093 1.00 0.00 O ATOM 0 H GLU A 14 -0.136 0.767 7.585 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.017 3.183 8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.625 2.583 10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.350 1.192 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.443 0.280 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.402 1.731 8.969 1.00 0.00 H new ATOM 231 N VAL A 15 1.593 3.239 6.961 1.00 0.00 N ATOM 232 CA VAL A 15 2.595 4.101 6.366 1.00 0.00 C ATOM 233 C VAL A 15 1.926 5.240 5.603 1.00 0.00 C ATOM 234 O VAL A 15 2.494 6.323 5.459 1.00 0.00 O ATOM 235 CB VAL A 15 3.561 3.306 5.448 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.109 3.271 3.988 1.00 0.00 C ATOM 237 CG2 VAL A 15 4.960 3.873 5.561 1.00 0.00 C ATOM 0 H VAL A 15 1.473 2.341 6.493 1.00 0.00 H new ATOM 0 HA VAL A 15 3.194 4.527 7.171 1.00 0.00 H new ATOM 0 HB VAL A 15 3.554 2.272 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.827 2.700 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.129 2.799 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.049 4.288 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.634 3.311 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.954 4.920 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.301 3.797 6.594 1.00 0.00 H new ATOM 247 N LEU A 16 0.707 4.991 5.127 1.00 0.00 N ATOM 248 CA LEU A 16 -0.039 6.002 4.395 1.00 0.00 C ATOM 249 C LEU A 16 -0.383 7.171 5.308 1.00 0.00 C ATOM 250 O LEU A 16 -0.396 8.323 4.876 1.00 0.00 O ATOM 251 CB LEU A 16 -1.314 5.407 3.784 1.00 0.00 C ATOM 252 CG LEU A 16 -1.108 4.647 2.475 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.277 5.467 1.500 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.444 3.312 2.750 1.00 0.00 C ATOM 0 H LEU A 16 0.221 4.101 5.237 1.00 0.00 H new ATOM 0 HA LEU A 16 0.589 6.366 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.767 4.733 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.026 6.214 3.610 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.082 4.468 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.143 4.906 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.789 6.405 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.697 5.678 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.301 2.777 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.523 3.478 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.076 2.721 3.412 1.00 0.00 H new ATOM 266 N LYS A 17 -0.643 6.871 6.582 1.00 0.00 N ATOM 267 CA LYS A 17 -0.970 7.905 7.562 1.00 0.00 C ATOM 268 C LYS A 17 -0.018 9.086 7.420 1.00 0.00 C ATOM 269 O LYS A 17 -0.434 10.244 7.441 1.00 0.00 O ATOM 270 CB LYS A 17 -0.896 7.340 8.983 1.00 0.00 C ATOM 271 CG LYS A 17 -1.123 8.384 10.065 1.00 0.00 C ATOM 272 CD LYS A 17 0.192 8.918 10.610 1.00 0.00 C ATOM 273 CE LYS A 17 1.025 7.813 11.238 1.00 0.00 C ATOM 274 NZ LYS A 17 1.924 8.334 12.305 1.00 0.00 N ATOM 0 H LYS A 17 -0.633 5.923 6.957 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.988 8.247 7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.639 6.550 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.081 6.881 9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.711 9.207 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.704 7.947 10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.757 9.388 9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.008 9.691 11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.365 7.054 11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.621 7.325 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.475 7.550 12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.572 9.039 11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.354 8.777 13.053 1.00 0.00 H new ATOM 288 N ASN A 18 1.262 8.778 7.246 1.00 0.00 N ATOM 289 CA ASN A 18 2.276 9.810 7.066 1.00 0.00 C ATOM 290 C ASN A 18 2.062 10.495 5.726 1.00 0.00 C ATOM 291 O ASN A 18 2.138 11.718 5.610 1.00 0.00 O ATOM 292 CB ASN A 18 3.680 9.200 7.119 1.00 0.00 C ATOM 293 CG ASN A 18 4.547 9.835 8.188 1.00 0.00 C ATOM 294 OD1 ASN A 18 5.589 10.420 7.891 1.00 0.00 O ATOM 295 ND2 ASN A 18 4.120 9.723 9.440 1.00 0.00 N ATOM 0 H ASN A 18 1.622 7.824 7.226 1.00 0.00 H new ATOM 0 HA ASN A 18 2.187 10.539 7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.601 8.129 7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.161 9.318 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.662 10.131 10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.250 9.229 9.640 1.00 0.00 H new ATOM 302 N LEU A 19 1.783 9.677 4.720 1.00 0.00 N ATOM 303 CA LEU A 19 1.541 10.155 3.367 1.00 0.00 C ATOM 304 C LEU A 19 0.447 11.227 3.356 1.00 0.00 C ATOM 305 O LEU A 19 0.523 12.193 2.601 1.00 0.00 O ATOM 306 CB LEU A 19 1.174 8.956 2.475 1.00 0.00 C ATOM 307 CG LEU A 19 -0.034 9.127 1.549 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.149 8.303 0.283 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.309 8.718 2.260 1.00 0.00 C ATOM 0 H LEU A 19 1.718 8.664 4.820 1.00 0.00 H new ATOM 0 HA LEU A 19 2.443 10.623 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.041 8.712 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.988 8.097 3.120 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.111 10.179 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.717 8.435 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.047 8.633 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.249 7.250 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.157 8.846 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.239 7.673 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.449 9.341 3.143 1.00 0.00 H new ATOM 321 N HIS A 20 -0.560 11.050 4.203 1.00 0.00 N ATOM 322 CA HIS A 20 -1.665 12.005 4.296 1.00 0.00 C ATOM 323 C HIS A 20 -1.156 13.423 4.544 1.00 0.00 C ATOM 324 O HIS A 20 -1.754 14.396 4.084 1.00 0.00 O ATOM 325 CB HIS A 20 -2.616 11.607 5.432 1.00 0.00 C ATOM 326 CG HIS A 20 -3.539 10.472 5.111 1.00 0.00 C ATOM 327 ND1 HIS A 20 -4.847 10.659 4.720 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.352 9.132 5.161 1.00 0.00 C ATOM 329 CE1 HIS A 20 -5.425 9.484 4.545 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.539 8.542 4.805 1.00 0.00 N ATOM 0 H HIS A 20 -0.637 10.255 4.837 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.196 11.986 3.344 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.023 11.338 6.306 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.214 12.476 5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.439 8.622 5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.449 9.322 4.241 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.709 7.538 4.750 1.00 0.00 H new ATOM 339 N LYS A 21 -0.070 13.533 5.300 1.00 0.00 N ATOM 340 CA LYS A 21 0.498 14.836 5.642 1.00 0.00 C ATOM 341 C LYS A 21 1.608 15.270 4.690 1.00 0.00 C ATOM 342 O LYS A 21 2.229 16.312 4.901 1.00 0.00 O ATOM 343 CB LYS A 21 1.043 14.802 7.069 1.00 0.00 C ATOM 344 CG LYS A 21 0.174 14.007 8.023 1.00 0.00 C ATOM 345 CD LYS A 21 -1.158 14.705 8.269 1.00 0.00 C ATOM 346 CE LYS A 21 -2.175 14.370 7.187 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.575 14.481 7.685 1.00 0.00 N ATOM 0 H LYS A 21 0.436 12.737 5.689 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.308 15.565 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.045 14.373 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.137 15.823 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.004 13.013 7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.697 13.873 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.550 14.409 9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.003 15.783 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.037 15.041 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.998 13.358 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.080 13.591 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.566 14.669 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.057 15.261 7.194 1.00 0.00 H new ATOM 361 N ASN A 22 1.877 14.482 3.655 1.00 0.00 N ATOM 362 CA ASN A 22 2.937 14.835 2.717 1.00 0.00 C ATOM 363 C ASN A 22 2.553 14.566 1.265 1.00 0.00 C ATOM 364 O ASN A 22 3.331 14.852 0.356 1.00 0.00 O ATOM 365 CB ASN A 22 4.218 14.084 3.072 1.00 0.00 C ATOM 366 CG ASN A 22 4.523 14.154 4.556 1.00 0.00 C ATOM 367 OD1 ASN A 22 3.784 13.611 5.378 1.00 0.00 O ATOM 368 ND2 ASN A 22 5.613 14.825 4.907 1.00 0.00 N ATOM 0 H ASN A 22 1.387 13.612 3.446 1.00 0.00 H new ATOM 0 HA ASN A 22 3.101 15.909 2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.123 13.041 2.770 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.052 14.504 2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.867 14.906 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.197 15.259 4.192 1.00 0.00 H new ATOM 375 N TRP A 23 1.356 14.034 1.036 1.00 0.00 N ATOM 376 CA TRP A 23 0.913 13.765 -0.324 1.00 0.00 C ATOM 377 C TRP A 23 0.578 15.083 -1.021 1.00 0.00 C ATOM 378 O TRP A 23 1.146 15.405 -2.064 1.00 0.00 O ATOM 379 CB TRP A 23 -0.275 12.786 -0.321 1.00 0.00 C ATOM 380 CG TRP A 23 -1.607 13.413 -0.553 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.620 13.527 0.338 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.067 13.985 -1.764 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.681 14.182 -0.228 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.369 14.465 -1.538 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.490 14.145 -3.016 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.107 15.097 -2.537 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.213 14.762 -4.005 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.514 15.235 -3.767 1.00 0.00 C ATOM 0 H TRP A 23 0.686 13.785 1.763 1.00 0.00 H new ATOM 0 HA TRP A 23 1.715 13.285 -0.885 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.107 12.031 -1.089 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.296 12.267 0.637 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.595 13.154 1.351 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.555 14.420 0.242 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.488 13.790 -3.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.106 15.464 -2.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.774 14.886 -4.984 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.058 15.716 -4.567 1.00 0.00 H new ATOM 399 N HIS A 24 -0.321 15.853 -0.417 1.00 0.00 N ATOM 400 CA HIS A 24 -0.709 17.155 -0.950 1.00 0.00 C ATOM 401 C HIS A 24 -1.768 17.805 -0.073 1.00 0.00 C ATOM 402 O HIS A 24 -2.779 18.308 -0.567 1.00 0.00 O ATOM 403 CB HIS A 24 -1.228 17.051 -2.377 1.00 0.00 C ATOM 404 CG HIS A 24 -1.362 18.390 -3.020 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.555 18.574 -4.372 1.00 0.00 N ATOM 406 CD2 HIS A 24 -1.328 19.625 -2.471 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.633 19.869 -4.629 1.00 0.00 C ATOM 408 NE2 HIS A 24 -1.499 20.528 -3.491 1.00 0.00 N ATOM 0 H HIS A 24 -0.797 15.596 0.447 1.00 0.00 H new ATOM 0 HA HIS A 24 0.188 17.775 -0.955 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.550 16.432 -2.965 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.196 16.551 -2.375 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.192 19.858 -1.425 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.781 20.312 -5.603 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.519 21.543 -3.387 1.00 0.00 H new ATOM 417 N GLY A 25 -1.530 17.793 1.227 1.00 0.00 N ATOM 418 CA GLY A 25 -2.466 18.380 2.165 1.00 0.00 C ATOM 419 C GLY A 25 -3.885 17.891 1.976 1.00 0.00 C ATOM 420 O GLY A 25 -4.193 17.180 1.020 1.00 0.00 O ATOM 0 H GLY A 25 -0.699 17.384 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.143 18.153 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.445 19.465 2.059 1.00 0.00 H new ATOM 424 N GLY A 26 -4.749 18.277 2.901 1.00 0.00 N ATOM 425 CA GLY A 26 -6.135 17.878 2.837 1.00 0.00 C ATOM 426 C GLY A 26 -6.302 16.378 2.888 1.00 0.00 C ATOM 427 O GLY A 26 -6.521 15.739 1.861 1.00 0.00 O ATOM 0 H GLY A 26 -4.511 18.864 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.680 18.330 3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.579 18.260 1.918 1.00 0.00 H new ATOM 431 N LYS A 27 -6.208 15.811 4.088 1.00 0.00 N ATOM 432 CA LYS A 27 -6.367 14.372 4.256 1.00 0.00 C ATOM 433 C LYS A 27 -7.646 13.909 3.563 1.00 0.00 C ATOM 434 O LYS A 27 -7.746 12.767 3.117 1.00 0.00 O ATOM 435 CB LYS A 27 -6.381 14.007 5.746 1.00 0.00 C ATOM 436 CG LYS A 27 -6.947 12.625 6.050 1.00 0.00 C ATOM 437 CD LYS A 27 -8.283 12.708 6.776 1.00 0.00 C ATOM 438 CE LYS A 27 -8.285 11.865 8.042 1.00 0.00 C ATOM 439 NZ LYS A 27 -8.767 10.480 7.786 1.00 0.00 N ATOM 0 H LYS A 27 -6.024 16.322 4.951 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.522 13.861 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.363 14.062 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.966 14.752 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.073 12.071 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.236 12.067 6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.496 13.746 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.080 12.371 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.277 11.828 8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.920 12.337 8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.753 9.938 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.738 10.513 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.147 10.020 7.090 1.00 0.00 H new ATOM 453 N ASP A 28 -8.612 14.819 3.453 1.00 0.00 N ATOM 454 CA ASP A 28 -9.870 14.517 2.789 1.00 0.00 C ATOM 455 C ASP A 28 -9.605 14.073 1.356 1.00 0.00 C ATOM 456 O ASP A 28 -10.344 13.259 0.801 1.00 0.00 O ATOM 457 CB ASP A 28 -10.791 15.738 2.803 1.00 0.00 C ATOM 458 CG ASP A 28 -11.933 15.590 3.789 1.00 0.00 C ATOM 459 OD1 ASP A 28 -11.717 14.991 4.864 1.00 0.00 O ATOM 460 OD2 ASP A 28 -13.045 16.072 3.487 1.00 0.00 O ATOM 0 H ASP A 28 -8.544 15.770 3.816 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.365 13.708 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.210 16.625 3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.196 15.896 1.803 1.00 0.00 H new ATOM 465 N ASN A 29 -8.532 14.599 0.765 1.00 0.00 N ATOM 466 CA ASN A 29 -8.164 14.235 -0.595 1.00 0.00 C ATOM 467 C ASN A 29 -7.464 12.882 -0.593 1.00 0.00 C ATOM 468 O ASN A 29 -7.710 12.038 -1.455 1.00 0.00 O ATOM 469 CB ASN A 29 -7.259 15.301 -1.212 1.00 0.00 C ATOM 470 CG ASN A 29 -7.932 16.657 -1.287 1.00 0.00 C ATOM 471 OD1 ASN A 29 -8.482 17.034 -2.323 1.00 0.00 O ATOM 472 ND2 ASN A 29 -7.891 17.400 -0.188 1.00 0.00 N ATOM 0 H ASN A 29 -7.908 15.274 1.207 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.069 14.168 -1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.346 15.384 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.965 14.988 -2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.326 18.323 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.425 17.048 0.648 1.00 0.00 H new ATOM 479 N LEU A 30 -6.607 12.678 0.404 1.00 0.00 N ATOM 480 CA LEU A 30 -5.885 11.422 0.551 1.00 0.00 C ATOM 481 C LEU A 30 -6.874 10.303 0.864 1.00 0.00 C ATOM 482 O LEU A 30 -6.719 9.170 0.414 1.00 0.00 O ATOM 483 CB LEU A 30 -4.852 11.542 1.679 1.00 0.00 C ATOM 484 CG LEU A 30 -3.731 10.488 1.702 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.300 9.087 1.847 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.844 10.587 0.463 1.00 0.00 C ATOM 0 H LEU A 30 -6.397 13.370 1.123 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.364 11.192 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.391 12.528 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.381 11.498 2.631 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.109 10.694 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.485 8.363 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.863 9.017 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.961 8.874 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.063 9.828 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.448 10.428 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.387 11.576 0.421 1.00 0.00 H new ATOM 498 N HIS A 31 -7.897 10.637 1.643 1.00 0.00 N ATOM 499 CA HIS A 31 -8.921 9.669 2.026 1.00 0.00 C ATOM 500 C HIS A 31 -9.399 8.864 0.821 1.00 0.00 C ATOM 501 O HIS A 31 -9.564 7.650 0.904 1.00 0.00 O ATOM 502 CB HIS A 31 -10.106 10.383 2.679 1.00 0.00 C ATOM 503 CG HIS A 31 -10.638 9.677 3.888 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.416 8.339 4.138 1.00 0.00 N ATOM 505 CD2 HIS A 31 -11.386 10.132 4.921 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.005 8.002 5.272 1.00 0.00 C ATOM 507 NE2 HIS A 31 -11.600 9.072 5.766 1.00 0.00 N ATOM 0 H HIS A 31 -8.040 11.573 2.023 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.478 8.978 2.743 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.802 11.391 2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.907 10.485 1.946 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.747 11.141 5.055 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.000 7.019 5.719 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.133 9.105 6.635 1.00 0.00 H new ATOM 516 N ASP A 32 -9.620 9.547 -0.296 1.00 0.00 N ATOM 517 CA ASP A 32 -10.081 8.890 -1.514 1.00 0.00 C ATOM 518 C ASP A 32 -8.947 8.141 -2.208 1.00 0.00 C ATOM 519 O ASP A 32 -9.189 7.231 -3.002 1.00 0.00 O ATOM 520 CB ASP A 32 -10.695 9.916 -2.470 1.00 0.00 C ATOM 521 CG ASP A 32 -12.082 9.516 -2.933 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.211 8.455 -3.579 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.042 10.265 -2.648 1.00 0.00 O ATOM 0 H ASP A 32 -9.488 10.555 -0.384 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.842 8.162 -1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.746 10.886 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.045 10.035 -3.337 1.00 0.00 H new ATOM 528 N VAL A 33 -7.711 8.526 -1.910 1.00 0.00 N ATOM 529 CA VAL A 33 -6.549 7.888 -2.513 1.00 0.00 C ATOM 530 C VAL A 33 -6.099 6.678 -1.695 1.00 0.00 C ATOM 531 O VAL A 33 -5.847 5.610 -2.248 1.00 0.00 O ATOM 532 CB VAL A 33 -5.390 8.903 -2.690 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.483 8.968 -1.473 1.00 0.00 C ATOM 534 CG2 VAL A 33 -4.574 8.590 -3.929 1.00 0.00 C ATOM 0 H VAL A 33 -7.489 9.276 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.838 7.532 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.854 9.882 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.689 9.693 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.064 9.271 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.045 7.986 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.769 9.318 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.150 7.589 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.216 8.637 -4.809 1.00 0.00 H new ATOM 544 N ASP A 34 -6.012 6.843 -0.377 1.00 0.00 N ATOM 545 CA ASP A 34 -5.605 5.747 0.496 1.00 0.00 C ATOM 546 C ASP A 34 -6.741 4.739 0.645 1.00 0.00 C ATOM 547 O ASP A 34 -6.501 3.535 0.739 1.00 0.00 O ATOM 548 CB ASP A 34 -5.160 6.278 1.866 1.00 0.00 C ATOM 549 CG ASP A 34 -5.209 5.224 2.959 1.00 0.00 C ATOM 550 OD1 ASP A 34 -4.874 4.055 2.671 1.00 0.00 O ATOM 551 OD2 ASP A 34 -5.581 5.567 4.100 1.00 0.00 O ATOM 0 H ASP A 34 -6.216 7.718 0.106 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.754 5.240 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.144 6.663 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.797 7.116 2.149 1.00 0.00 H new ATOM 556 N ASN A 35 -7.982 5.229 0.644 1.00 0.00 N ATOM 557 CA ASN A 35 -9.138 4.346 0.755 1.00 0.00 C ATOM 558 C ASN A 35 -9.058 3.261 -0.312 1.00 0.00 C ATOM 559 O ASN A 35 -9.539 2.145 -0.120 1.00 0.00 O ATOM 560 CB ASN A 35 -10.444 5.137 0.615 1.00 0.00 C ATOM 561 CG ASN A 35 -11.667 4.241 0.566 1.00 0.00 C ATOM 562 OD1 ASN A 35 -12.340 4.032 1.576 1.00 0.00 O ATOM 563 ND2 ASN A 35 -11.963 3.708 -0.613 1.00 0.00 N ATOM 0 H ASN A 35 -8.208 6.221 0.568 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.130 3.881 1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.538 5.828 1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.404 5.740 -0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.775 3.099 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.378 3.908 -1.424 1.00 0.00 H new ATOM 570 N HIS A 36 -8.423 3.600 -1.433 1.00 0.00 N ATOM 571 CA HIS A 36 -8.247 2.659 -2.528 1.00 0.00 C ATOM 572 C HIS A 36 -7.524 1.419 -2.030 1.00 0.00 C ATOM 573 O HIS A 36 -7.998 0.297 -2.200 1.00 0.00 O ATOM 574 CB HIS A 36 -7.454 3.316 -3.662 1.00 0.00 C ATOM 575 CG HIS A 36 -8.174 3.338 -4.975 1.00 0.00 C ATOM 576 ND1 HIS A 36 -9.546 3.237 -5.090 1.00 0.00 N ATOM 577 CD2 HIS A 36 -7.703 3.456 -6.240 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.885 3.290 -6.365 1.00 0.00 C ATOM 579 NE2 HIS A 36 -8.785 3.422 -7.083 1.00 0.00 N ATOM 0 H HIS A 36 -8.023 4.523 -1.603 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.226 2.368 -2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.210 4.339 -3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.510 2.786 -3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.668 3.558 -6.531 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.891 3.235 -6.754 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.746 3.488 -8.100 1.00 0.00 H new ATOM 588 N LEU A 37 -6.381 1.636 -1.392 1.00 0.00 N ATOM 589 CA LEU A 37 -5.605 0.537 -0.844 1.00 0.00 C ATOM 590 C LEU A 37 -6.242 0.050 0.450 1.00 0.00 C ATOM 591 O LEU A 37 -6.202 -1.139 0.765 1.00 0.00 O ATOM 592 CB LEU A 37 -4.155 0.966 -0.616 1.00 0.00 C ATOM 593 CG LEU A 37 -3.748 1.218 0.832 1.00 0.00 C ATOM 594 CD1 LEU A 37 -3.133 -0.028 1.445 1.00 0.00 C ATOM 595 CD2 LEU A 37 -2.781 2.375 0.889 1.00 0.00 C ATOM 0 H LEU A 37 -5.974 2.559 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.600 -0.286 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.501 0.197 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.973 1.877 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.637 1.468 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.851 0.176 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.858 -0.841 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.248 -0.314 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.490 2.555 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.896 2.139 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.258 3.268 0.485 1.00 0.00 H new ATOM 607 N GLN A 38 -6.852 0.978 1.188 1.00 0.00 N ATOM 608 CA GLN A 38 -7.520 0.634 2.434 1.00 0.00 C ATOM 609 C GLN A 38 -8.538 -0.463 2.170 1.00 0.00 C ATOM 610 O GLN A 38 -8.708 -1.380 2.973 1.00 0.00 O ATOM 611 CB GLN A 38 -8.208 1.861 3.035 1.00 0.00 C ATOM 612 CG GLN A 38 -8.362 1.794 4.547 1.00 0.00 C ATOM 613 CD GLN A 38 -9.728 1.289 4.970 1.00 0.00 C ATOM 614 OE1 GLN A 38 -10.494 0.775 4.156 1.00 0.00 O ATOM 615 NE2 GLN A 38 -10.040 1.436 6.253 1.00 0.00 N ATOM 0 H GLN A 38 -6.895 1.967 0.943 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.778 0.278 3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.635 2.752 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.193 1.973 2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.593 1.140 4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.198 2.785 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.374 1.868 6.894 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.945 1.117 6.597 1.00 0.00 H new ATOM 624 N ASN A 39 -9.189 -0.371 1.016 1.00 0.00 N ATOM 625 CA ASN A 39 -10.166 -1.367 0.614 1.00 0.00 C ATOM 626 C ASN A 39 -9.462 -2.556 -0.030 1.00 0.00 C ATOM 627 O ASN A 39 -10.029 -3.644 -0.131 1.00 0.00 O ATOM 628 CB ASN A 39 -11.181 -0.763 -0.358 1.00 0.00 C ATOM 629 CG ASN A 39 -12.593 -1.248 -0.095 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.798 -2.322 0.472 1.00 0.00 O ATOM 631 ND2 ASN A 39 -13.577 -0.458 -0.506 1.00 0.00 N ATOM 0 H ASN A 39 -9.055 0.385 0.344 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.701 -1.708 1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.153 0.324 -0.280 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.897 -1.016 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.548 -0.733 -0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.362 0.424 -0.972 1.00 0.00 H new ATOM 638 N VAL A 40 -8.213 -2.347 -0.457 1.00 0.00 N ATOM 639 CA VAL A 40 -7.440 -3.413 -1.076 1.00 0.00 C ATOM 640 C VAL A 40 -6.941 -4.384 -0.013 1.00 0.00 C ATOM 641 O VAL A 40 -6.960 -5.596 -0.212 1.00 0.00 O ATOM 642 CB VAL A 40 -6.240 -2.854 -1.869 1.00 0.00 C ATOM 643 CG1 VAL A 40 -5.299 -3.971 -2.300 1.00 0.00 C ATOM 644 CG2 VAL A 40 -6.724 -2.065 -3.077 1.00 0.00 C ATOM 0 H VAL A 40 -7.724 -1.455 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.096 -3.936 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.684 -2.183 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.463 -3.548 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.923 -4.490 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.837 -4.676 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.866 -1.677 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.307 -2.717 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.347 -1.235 -2.744 1.00 0.00 H new ATOM 654 N ILE A 41 -6.502 -3.838 1.118 1.00 0.00 N ATOM 655 CA ILE A 41 -5.998 -4.649 2.223 1.00 0.00 C ATOM 656 C ILE A 41 -6.917 -5.837 2.503 1.00 0.00 C ATOM 657 O ILE A 41 -6.457 -6.926 2.846 1.00 0.00 O ATOM 658 CB ILE A 41 -5.833 -3.802 3.505 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.836 -4.464 4.454 1.00 0.00 C ATOM 660 CG2 ILE A 41 -7.174 -3.587 4.197 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.405 -4.036 4.211 1.00 0.00 C ATOM 0 H ILE A 41 -6.485 -2.833 1.294 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.021 -5.028 1.925 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.445 -2.824 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.110 -4.226 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.907 -5.546 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.028 -2.988 5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.853 -3.067 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.602 -4.552 4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.749 -4.543 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.114 -4.299 3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.320 -2.958 4.345 1.00 0.00 H new ATOM 673 N GLU A 42 -8.218 -5.617 2.346 1.00 0.00 N ATOM 674 CA GLU A 42 -9.207 -6.665 2.570 1.00 0.00 C ATOM 675 C GLU A 42 -9.213 -7.648 1.414 1.00 0.00 C ATOM 676 O GLU A 42 -9.527 -8.823 1.586 1.00 0.00 O ATOM 677 CB GLU A 42 -10.598 -6.051 2.773 1.00 0.00 C ATOM 678 CG GLU A 42 -11.319 -5.706 1.477 1.00 0.00 C ATOM 679 CD GLU A 42 -12.381 -6.724 1.112 1.00 0.00 C ATOM 680 OE1 GLU A 42 -12.312 -7.862 1.621 1.00 0.00 O ATOM 681 OE2 GLU A 42 -13.280 -6.383 0.315 1.00 0.00 O ATOM 0 H GLU A 42 -8.613 -4.720 2.064 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.938 -7.210 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.212 -6.748 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.500 -5.147 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.781 -4.723 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.592 -5.639 0.668 1.00 0.00 H new ATOM 688 N ASP A 43 -8.844 -7.168 0.241 1.00 0.00 N ATOM 689 CA ASP A 43 -8.785 -8.020 -0.925 1.00 0.00 C ATOM 690 C ASP A 43 -7.505 -8.837 -0.899 1.00 0.00 C ATOM 691 O ASP A 43 -7.451 -9.927 -1.458 1.00 0.00 O ATOM 692 CB ASP A 43 -8.867 -7.193 -2.209 1.00 0.00 C ATOM 693 CG ASP A 43 -10.291 -7.030 -2.701 1.00 0.00 C ATOM 694 OD1 ASP A 43 -11.194 -6.847 -1.858 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.505 -7.086 -3.931 1.00 0.00 O ATOM 0 H ASP A 43 -8.582 -6.196 0.074 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.640 -8.696 -0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.431 -6.209 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.270 -7.672 -2.985 1.00 0.00 H new ATOM 700 N ILE A 44 -6.477 -8.312 -0.233 1.00 0.00 N ATOM 701 CA ILE A 44 -5.204 -9.015 -0.129 1.00 0.00 C ATOM 702 C ILE A 44 -5.213 -9.981 1.047 1.00 0.00 C ATOM 703 O ILE A 44 -5.001 -11.180 0.872 1.00 0.00 O ATOM 704 CB ILE A 44 -4.006 -8.051 0.024 1.00 0.00 C ATOM 705 CG1 ILE A 44 -4.229 -6.770 -0.784 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.720 -8.738 -0.416 1.00 0.00 C ATOM 707 CD1 ILE A 44 -3.059 -5.809 -0.736 1.00 0.00 C ATOM 0 H ILE A 44 -6.502 -7.408 0.239 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.083 -9.565 -1.062 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.918 -7.778 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.427 -7.036 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.119 -6.264 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.883 -8.049 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.549 -9.620 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.806 -9.037 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.289 -4.925 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.873 -5.513 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.171 -6.296 -1.139 1.00 0.00 H new ATOM 719 N HIS A 45 -5.460 -9.457 2.245 1.00 0.00 N ATOM 720 CA HIS A 45 -5.492 -10.289 3.443 1.00 0.00 C ATOM 721 C HIS A 45 -6.545 -11.386 3.320 1.00 0.00 C ATOM 722 O HIS A 45 -6.409 -12.455 3.916 1.00 0.00 O ATOM 723 CB HIS A 45 -5.730 -9.428 4.693 1.00 0.00 C ATOM 724 CG HIS A 45 -7.154 -9.387 5.157 1.00 0.00 C ATOM 725 ND1 HIS A 45 -7.521 -9.504 6.481 1.00 0.00 N ATOM 726 CD2 HIS A 45 -8.304 -9.245 4.461 1.00 0.00 C ATOM 727 CE1 HIS A 45 -8.836 -9.435 6.579 1.00 0.00 C ATOM 728 NE2 HIS A 45 -9.335 -9.277 5.366 1.00 0.00 N ATOM 0 H HIS A 45 -5.640 -8.467 2.411 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.522 -10.774 3.547 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.108 -9.807 5.504 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.399 -8.410 4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.395 -9.128 3.391 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.406 -9.497 7.494 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.326 -9.193 5.139 1.00 0.00 H new ATOM 737 N ASP A 46 -7.585 -11.131 2.531 1.00 0.00 N ATOM 738 CA ASP A 46 -8.634 -12.119 2.330 1.00 0.00 C ATOM 739 C ASP A 46 -8.250 -13.054 1.194 1.00 0.00 C ATOM 740 O ASP A 46 -8.694 -14.201 1.139 1.00 0.00 O ATOM 741 CB ASP A 46 -9.968 -11.439 2.023 1.00 0.00 C ATOM 742 CG ASP A 46 -11.135 -12.407 2.072 1.00 0.00 C ATOM 743 OD1 ASP A 46 -11.112 -13.321 2.922 1.00 0.00 O ATOM 744 OD2 ASP A 46 -12.070 -12.249 1.260 1.00 0.00 O ATOM 0 H ASP A 46 -7.721 -10.256 2.025 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.748 -12.696 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.136 -10.635 2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.920 -10.981 1.035 1.00 0.00 H new ATOM 749 N PHE A 47 -7.423 -12.550 0.283 1.00 0.00 N ATOM 750 CA PHE A 47 -6.982 -13.346 -0.862 1.00 0.00 C ATOM 751 C PHE A 47 -5.791 -14.241 -0.521 1.00 0.00 C ATOM 752 O PHE A 47 -5.832 -15.446 -0.774 1.00 0.00 O ATOM 753 CB PHE A 47 -6.629 -12.448 -2.048 1.00 0.00 C ATOM 754 CG PHE A 47 -7.798 -12.172 -2.952 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.046 -11.876 -2.425 1.00 0.00 C ATOM 756 CD2 PHE A 47 -7.651 -12.212 -4.329 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.123 -11.626 -3.253 1.00 0.00 C ATOM 758 CE2 PHE A 47 -8.724 -11.961 -5.163 1.00 0.00 C ATOM 759 CZ PHE A 47 -9.962 -11.668 -4.624 1.00 0.00 C ATOM 0 H PHE A 47 -7.046 -11.603 0.313 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.818 -13.990 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.236 -11.502 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.834 -12.918 -2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.178 -11.840 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.686 -12.442 -4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.090 -11.398 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.595 -11.994 -6.235 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.802 -11.472 -5.274 1.00 0.00 H new ATOM 769 N MET A 48 -4.727 -13.664 0.041 1.00 0.00 N ATOM 770 CA MET A 48 -3.541 -14.450 0.386 1.00 0.00 C ATOM 771 C MET A 48 -3.907 -15.671 1.226 1.00 0.00 C ATOM 772 O MET A 48 -3.155 -16.644 1.277 1.00 0.00 O ATOM 773 CB MET A 48 -2.500 -13.599 1.118 1.00 0.00 C ATOM 774 CG MET A 48 -3.068 -12.728 2.223 1.00 0.00 C ATOM 775 SD MET A 48 -2.401 -11.053 2.184 1.00 0.00 S ATOM 776 CE MET A 48 -2.053 -10.791 3.920 1.00 0.00 C ATOM 0 H MET A 48 -4.662 -12.671 0.264 1.00 0.00 H new ATOM 0 HA MET A 48 -3.104 -14.796 -0.551 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.744 -14.258 1.544 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.995 -12.961 0.393 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.153 -12.687 2.129 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.849 -13.182 3.189 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.667 -9.782 4.065 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.969 -10.916 4.498 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.311 -11.515 4.256 1.00 0.00 H new ATOM 786 N GLN A 49 -5.064 -15.621 1.878 1.00 0.00 N ATOM 787 CA GLN A 49 -5.516 -16.735 2.704 1.00 0.00 C ATOM 788 C GLN A 49 -6.371 -17.715 1.898 1.00 0.00 C ATOM 789 O GLN A 49 -7.073 -18.548 2.470 1.00 0.00 O ATOM 790 CB GLN A 49 -6.303 -16.215 3.909 1.00 0.00 C ATOM 791 CG GLN A 49 -5.680 -16.585 5.246 1.00 0.00 C ATOM 792 CD GLN A 49 -6.620 -17.381 6.131 1.00 0.00 C ATOM 793 OE1 GLN A 49 -6.881 -17.009 7.274 1.00 0.00 O ATOM 794 NE2 GLN A 49 -7.133 -18.487 5.603 1.00 0.00 N ATOM 0 H GLN A 49 -5.703 -14.826 1.851 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.634 -17.270 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.381 -15.130 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.318 -16.610 3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.774 -17.165 5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.381 -15.675 5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.889 -18.758 4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.771 -19.065 6.150 1.00 0.00 H new ATOM 803 N GLY A 50 -6.303 -17.616 0.571 1.00 0.00 N ATOM 804 CA GLY A 50 -7.072 -18.508 -0.277 1.00 0.00 C ATOM 805 C GLY A 50 -8.313 -17.851 -0.853 1.00 0.00 C ATOM 806 O GLY A 50 -9.328 -18.513 -1.072 1.00 0.00 O ATOM 0 H GLY A 50 -5.730 -16.936 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.441 -18.859 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.366 -19.386 0.299 1.00 0.00 H new ATOM 810 N GLY A 51 -8.232 -16.548 -1.100 1.00 0.00 N ATOM 811 CA GLY A 51 -9.363 -15.828 -1.654 1.00 0.00 C ATOM 812 C GLY A 51 -9.119 -15.365 -3.078 1.00 0.00 C ATOM 813 O GLY A 51 -9.726 -14.397 -3.535 1.00 0.00 O ATOM 0 H GLY A 51 -7.404 -15.978 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.244 -16.469 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.581 -14.963 -1.027 1.00 0.00 H new ATOM 817 N GLY A 52 -8.230 -16.060 -3.782 1.00 0.00 N ATOM 818 CA GLY A 52 -7.926 -15.700 -5.156 1.00 0.00 C ATOM 819 C GLY A 52 -6.658 -14.876 -5.277 1.00 0.00 C ATOM 820 O GLY A 52 -6.495 -14.110 -6.227 1.00 0.00 O ATOM 0 H GLY A 52 -7.715 -16.865 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.823 -16.607 -5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.761 -15.138 -5.574 1.00 0.00 H new ATOM 824 N SER A 53 -5.757 -15.034 -4.313 1.00 0.00 N ATOM 825 CA SER A 53 -4.496 -14.298 -4.312 1.00 0.00 C ATOM 826 C SER A 53 -3.674 -14.606 -5.564 1.00 0.00 C ATOM 827 O SER A 53 -2.777 -13.846 -5.928 1.00 0.00 O ATOM 828 CB SER A 53 -3.683 -14.643 -3.061 1.00 0.00 C ATOM 829 OG SER A 53 -3.105 -13.482 -2.492 1.00 0.00 O ATOM 0 H SER A 53 -5.876 -15.666 -3.521 1.00 0.00 H new ATOM 0 HA SER A 53 -4.730 -13.233 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.327 -15.129 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.899 -15.355 -3.318 1.00 0.00 H new ATOM 0 HG SER A 53 -3.070 -12.771 -3.165 1.00 0.00 H new ATOM 835 N GLY A 54 -3.977 -15.727 -6.212 1.00 0.00 N ATOM 836 CA GLY A 54 -3.248 -16.114 -7.405 1.00 0.00 C ATOM 837 C GLY A 54 -3.665 -15.330 -8.634 1.00 0.00 C ATOM 838 O GLY A 54 -4.301 -15.870 -9.539 1.00 0.00 O ATOM 0 H GLY A 54 -4.714 -16.374 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.181 -15.971 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.402 -17.177 -7.589 1.00 0.00 H new ATOM 842 N GLY A 55 -3.301 -14.052 -8.668 1.00 0.00 N ATOM 843 CA GLY A 55 -3.644 -13.211 -9.803 1.00 0.00 C ATOM 844 C GLY A 55 -4.207 -11.863 -9.392 1.00 0.00 C ATOM 845 O GLY A 55 -4.423 -10.994 -10.235 1.00 0.00 O ATOM 0 H GLY A 55 -2.775 -13.583 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.756 -13.056 -10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.374 -13.729 -10.425 1.00 0.00 H new ATOM 849 N LYS A 56 -4.451 -11.689 -8.098 1.00 0.00 N ATOM 850 CA LYS A 56 -4.995 -10.437 -7.582 1.00 0.00 C ATOM 851 C LYS A 56 -3.884 -9.455 -7.235 1.00 0.00 C ATOM 852 O LYS A 56 -4.026 -8.250 -7.437 1.00 0.00 O ATOM 853 CB LYS A 56 -5.856 -10.714 -6.347 1.00 0.00 C ATOM 854 CG LYS A 56 -6.582 -9.488 -5.818 1.00 0.00 C ATOM 855 CD LYS A 56 -5.753 -8.749 -4.780 1.00 0.00 C ATOM 856 CE LYS A 56 -5.446 -9.622 -3.576 1.00 0.00 C ATOM 857 NZ LYS A 56 -3.982 -9.810 -3.385 1.00 0.00 N ATOM 0 H LYS A 56 -4.281 -12.399 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.612 -9.987 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.590 -11.482 -6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.223 -11.119 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.813 -8.816 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.532 -9.789 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.820 -8.413 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.289 -7.857 -4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.874 -9.170 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.923 -10.594 -3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.816 -10.439 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.572 -10.234 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.534 -8.889 -3.206 1.00 0.00 H new ATOM 871 N LEU A 57 -2.784 -9.971 -6.703 1.00 0.00 N ATOM 872 CA LEU A 57 -1.662 -9.127 -6.316 1.00 0.00 C ATOM 873 C LEU A 57 -1.039 -8.418 -7.517 1.00 0.00 C ATOM 874 O LEU A 57 -0.227 -7.515 -7.348 1.00 0.00 O ATOM 875 CB LEU A 57 -0.591 -9.950 -5.590 1.00 0.00 C ATOM 876 CG LEU A 57 -0.246 -9.485 -4.168 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.335 -7.967 -4.049 1.00 0.00 C ATOM 878 CD2 LEU A 57 -1.159 -10.160 -3.154 1.00 0.00 C ATOM 0 H LEU A 57 -2.645 -10.967 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.054 -8.366 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.925 -10.986 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.320 -9.936 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 57 0.783 -9.775 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.086 -7.667 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.365 -7.506 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.348 -7.642 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.902 -9.820 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.196 -9.903 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.033 -11.241 -3.214 1.00 0.00 H new ATOM 890 N GLN A 58 -1.403 -8.825 -8.727 1.00 0.00 N ATOM 891 CA GLN A 58 -0.846 -8.198 -9.921 1.00 0.00 C ATOM 892 C GLN A 58 -1.636 -6.955 -10.322 1.00 0.00 C ATOM 893 O GLN A 58 -1.059 -5.892 -10.548 1.00 0.00 O ATOM 894 CB GLN A 58 -0.788 -9.195 -11.083 1.00 0.00 C ATOM 895 CG GLN A 58 -2.139 -9.781 -11.456 1.00 0.00 C ATOM 896 CD GLN A 58 -2.760 -9.097 -12.658 1.00 0.00 C ATOM 897 OE1 GLN A 58 -2.189 -8.162 -13.220 1.00 0.00 O ATOM 898 NE2 GLN A 58 -3.939 -9.560 -13.057 1.00 0.00 N ATOM 0 H GLN A 58 -2.071 -9.575 -8.907 1.00 0.00 H new ATOM 0 HA GLN A 58 0.170 -7.884 -9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.365 -8.697 -11.956 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.110 -10.007 -10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.024 -10.844 -11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.815 -9.696 -10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.376 -10.337 -12.561 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.408 -9.139 -13.859 1.00 0.00 H new ATOM 907 N GLU A 59 -2.955 -7.089 -10.406 1.00 0.00 N ATOM 908 CA GLU A 59 -3.807 -5.967 -10.778 1.00 0.00 C ATOM 909 C GLU A 59 -4.182 -5.150 -9.550 1.00 0.00 C ATOM 910 O GLU A 59 -4.382 -3.939 -9.637 1.00 0.00 O ATOM 911 CB GLU A 59 -5.070 -6.466 -11.482 1.00 0.00 C ATOM 912 CG GLU A 59 -4.962 -6.463 -12.998 1.00 0.00 C ATOM 913 CD GLU A 59 -6.292 -6.716 -13.680 1.00 0.00 C ATOM 914 OE1 GLU A 59 -6.826 -7.837 -13.539 1.00 0.00 O ATOM 915 OE2 GLU A 59 -6.799 -5.795 -14.353 1.00 0.00 O ATOM 0 H GLU A 59 -3.455 -7.959 -10.222 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.251 -5.329 -11.465 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.289 -7.479 -11.144 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.913 -5.842 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.566 -5.503 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.248 -7.226 -13.309 1.00 0.00 H new ATOM 922 N MET A 60 -4.269 -5.818 -8.407 1.00 0.00 N ATOM 923 CA MET A 60 -4.615 -5.147 -7.164 1.00 0.00 C ATOM 924 C MET A 60 -3.416 -4.396 -6.605 1.00 0.00 C ATOM 925 O MET A 60 -3.573 -3.361 -5.957 1.00 0.00 O ATOM 926 CB MET A 60 -5.123 -6.152 -6.134 1.00 0.00 C ATOM 927 CG MET A 60 -6.035 -5.538 -5.086 1.00 0.00 C ATOM 928 SD MET A 60 -7.781 -5.849 -5.415 1.00 0.00 S ATOM 929 CE MET A 60 -8.225 -4.371 -6.323 1.00 0.00 C ATOM 0 H MET A 60 -4.105 -6.821 -8.316 1.00 0.00 H new ATOM 0 HA MET A 60 -5.408 -4.431 -7.379 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.660 -6.948 -6.649 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.270 -6.613 -5.636 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.777 -5.939 -4.106 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.863 -4.462 -5.046 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.311 -4.292 -6.382 1.00 0.00 H new ATOM 0 HE2 MET A 60 -7.825 -3.496 -5.811 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.810 -4.424 -7.330 1.00 0.00 H new ATOM 939 N MET A 61 -2.213 -4.911 -6.858 1.00 0.00 N ATOM 940 CA MET A 61 -1.001 -4.258 -6.367 1.00 0.00 C ATOM 941 C MET A 61 -0.951 -2.806 -6.832 1.00 0.00 C ATOM 942 O MET A 61 -0.452 -1.931 -6.122 1.00 0.00 O ATOM 943 CB MET A 61 0.251 -5.007 -6.836 1.00 0.00 C ATOM 944 CG MET A 61 1.525 -4.174 -6.809 1.00 0.00 C ATOM 945 SD MET A 61 1.801 -3.278 -8.350 1.00 0.00 S ATOM 946 CE MET A 61 3.079 -2.129 -7.848 1.00 0.00 C ATOM 0 H MET A 61 -2.053 -5.765 -7.392 1.00 0.00 H new ATOM 0 HA MET A 61 -1.025 -4.277 -5.277 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.392 -5.886 -6.207 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.087 -5.366 -7.852 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.473 -3.463 -5.984 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.377 -4.826 -6.614 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.891 -1.155 -8.301 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.075 -2.032 -6.762 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.050 -2.500 -8.175 1.00 0.00 H new ATOM 956 N LYS A 62 -1.474 -2.556 -8.028 1.00 0.00 N ATOM 957 CA LYS A 62 -1.489 -1.210 -8.584 1.00 0.00 C ATOM 958 C LYS A 62 -2.416 -0.297 -7.787 1.00 0.00 C ATOM 959 O LYS A 62 -2.234 0.919 -7.767 1.00 0.00 O ATOM 960 CB LYS A 62 -1.929 -1.247 -10.049 1.00 0.00 C ATOM 961 CG LYS A 62 -1.734 0.074 -10.778 1.00 0.00 C ATOM 962 CD LYS A 62 -2.631 0.174 -12.000 1.00 0.00 C ATOM 963 CE LYS A 62 -3.014 1.616 -12.292 1.00 0.00 C ATOM 964 NZ LYS A 62 -3.961 1.719 -13.437 1.00 0.00 N ATOM 0 H LYS A 62 -1.892 -3.267 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.477 -0.810 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.369 -2.025 -10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.981 -1.526 -10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.948 0.900 -10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.692 0.173 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.119 -0.250 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.532 -0.418 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.468 2.058 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.116 2.193 -12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.197 2.718 -13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.519 1.321 -14.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.829 1.190 -13.218 1.00 0.00 H new ATOM 978 N GLU A 63 -3.415 -0.888 -7.137 1.00 0.00 N ATOM 979 CA GLU A 63 -4.372 -0.116 -6.350 1.00 0.00 C ATOM 980 C GLU A 63 -3.735 0.449 -5.083 1.00 0.00 C ATOM 981 O GLU A 63 -4.045 1.567 -4.673 1.00 0.00 O ATOM 982 CB GLU A 63 -5.580 -0.978 -5.979 1.00 0.00 C ATOM 983 CG GLU A 63 -6.833 -0.166 -5.699 1.00 0.00 C ATOM 984 CD GLU A 63 -7.610 0.160 -6.960 1.00 0.00 C ATOM 985 OE1 GLU A 63 -7.237 1.130 -7.652 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.591 -0.556 -7.255 1.00 0.00 O ATOM 0 H GLU A 63 -3.583 -1.894 -7.139 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.700 0.720 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.782 -1.677 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.337 -1.573 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.475 -0.720 -5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.556 0.761 -5.197 1.00 0.00 H new ATOM 993 N PHE A 64 -2.846 -0.323 -4.463 1.00 0.00 N ATOM 994 CA PHE A 64 -2.182 0.121 -3.246 1.00 0.00 C ATOM 995 C PHE A 64 -0.957 0.965 -3.585 1.00 0.00 C ATOM 996 O PHE A 64 -0.565 1.847 -2.821 1.00 0.00 O ATOM 997 CB PHE A 64 -1.823 -1.089 -2.364 1.00 0.00 C ATOM 998 CG PHE A 64 -0.431 -1.624 -2.551 1.00 0.00 C ATOM 999 CD1 PHE A 64 0.659 -0.950 -2.030 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.218 -2.809 -3.235 1.00 0.00 C ATOM 1001 CE1 PHE A 64 1.937 -1.447 -2.189 1.00 0.00 C ATOM 1002 CE2 PHE A 64 1.059 -3.310 -3.401 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.138 -2.627 -2.877 1.00 0.00 C ATOM 0 H PHE A 64 -2.572 -1.252 -4.782 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.863 0.753 -2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.950 -0.807 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.534 -1.890 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.508 -0.025 -1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.060 -3.348 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.780 -0.913 -1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.212 -4.234 -3.939 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.138 -3.015 -3.005 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.374 0.701 -4.748 1.00 0.00 N ATOM 1014 CA GLN A 65 0.788 1.449 -5.208 1.00 0.00 C ATOM 1015 C GLN A 65 0.349 2.759 -5.859 1.00 0.00 C ATOM 1016 O GLN A 65 1.070 3.755 -5.822 1.00 0.00 O ATOM 1017 CB GLN A 65 1.601 0.615 -6.201 1.00 0.00 C ATOM 1018 CG GLN A 65 3.055 1.046 -6.308 1.00 0.00 C ATOM 1019 CD GLN A 65 3.251 2.202 -7.269 1.00 0.00 C ATOM 1020 OE1 GLN A 65 3.071 2.057 -8.478 1.00 0.00 O ATOM 1021 NE2 GLN A 65 3.625 3.359 -6.735 1.00 0.00 N ATOM 0 H GLN A 65 -0.688 -0.027 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 65 1.416 1.677 -4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.562 -0.432 -5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.137 0.682 -7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.419 1.333 -5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.658 0.199 -6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.763 3.435 -5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.774 4.172 -7.333 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.846 2.747 -6.452 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.387 3.934 -7.107 1.00 0.00 C ATOM 1032 C GLN A 66 -1.591 5.058 -6.097 1.00 0.00 C ATOM 1033 O GLN A 66 -1.385 6.230 -6.406 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.711 3.605 -7.804 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.418 4.822 -8.382 1.00 0.00 C ATOM 1036 CD GLN A 66 -4.700 5.157 -7.645 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -4.797 4.978 -6.431 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -5.692 5.649 -8.378 1.00 0.00 N ATOM 0 H GLN A 66 -1.455 1.929 -6.491 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.670 4.267 -7.857 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.522 2.891 -8.606 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.374 3.115 -7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.747 5.680 -8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.644 4.641 -9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.568 5.781 -9.382 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.578 5.895 -7.937 1.00 0.00 H new ATOM 1047 N VAL A 67 -1.988 4.691 -4.886 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.212 5.662 -3.819 1.00 0.00 C ATOM 1049 C VAL A 67 -0.995 6.564 -3.647 1.00 0.00 C ATOM 1050 O VAL A 67 -1.123 7.770 -3.440 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.513 4.944 -2.487 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.734 5.941 -1.360 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.719 4.031 -2.641 1.00 0.00 C ATOM 0 H VAL A 67 -2.163 3.723 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.070 6.273 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.646 4.337 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.944 5.404 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.839 6.549 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.578 6.586 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.920 3.531 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.588 4.622 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.515 3.285 -3.409 1.00 0.00 H new ATOM 1063 N LEU A 68 0.184 5.967 -3.748 1.00 0.00 N ATOM 1064 CA LEU A 68 1.433 6.702 -3.618 1.00 0.00 C ATOM 1065 C LEU A 68 1.701 7.554 -4.863 1.00 0.00 C ATOM 1066 O LEU A 68 2.652 8.333 -4.893 1.00 0.00 O ATOM 1067 CB LEU A 68 2.575 5.726 -3.376 1.00 0.00 C ATOM 1068 CG LEU A 68 2.923 5.529 -1.901 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.163 4.342 -1.315 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.426 5.344 -1.741 1.00 0.00 C ATOM 0 H LEU A 68 0.301 4.969 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 68 1.356 7.379 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.312 4.761 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.460 6.081 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 68 2.621 6.420 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.428 4.223 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.091 4.518 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.427 3.436 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.665 5.204 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.747 4.468 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.943 6.227 -2.116 1.00 0.00 H new ATOM 1082 N ASP A 69 0.849 7.417 -5.884 1.00 0.00 N ATOM 1083 CA ASP A 69 0.994 8.196 -7.110 1.00 0.00 C ATOM 1084 C ASP A 69 0.471 9.609 -6.883 1.00 0.00 C ATOM 1085 O ASP A 69 1.204 10.584 -7.048 1.00 0.00 O ATOM 1086 CB ASP A 69 0.249 7.536 -8.271 1.00 0.00 C ATOM 1087 CG ASP A 69 0.732 6.124 -8.539 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.292 5.503 -7.611 1.00 0.00 O ATOM 1089 OD2 ASP A 69 0.550 5.639 -9.675 1.00 0.00 O ATOM 0 H ASP A 69 0.056 6.776 -5.883 1.00 0.00 H new ATOM 0 HA ASP A 69 2.051 8.239 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.818 7.516 -8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.377 8.138 -9.171 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.791 9.715 -6.460 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.382 11.021 -6.162 1.00 0.00 C ATOM 1096 C GLU A 70 -0.472 11.761 -5.201 1.00 0.00 C ATOM 1097 O GLU A 70 -0.369 12.987 -5.213 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.758 10.849 -5.508 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.691 12.032 -5.713 1.00 0.00 C ATOM 1100 CD GLU A 70 -3.801 12.450 -7.166 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -4.589 11.825 -7.905 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -3.099 13.404 -7.564 1.00 0.00 O ATOM 0 H GLU A 70 -1.417 8.922 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.497 11.580 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.231 9.953 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.623 10.686 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.682 11.776 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.334 12.876 -5.123 1.00 0.00 H new ATOM 1109 N LEU A 71 0.170 10.969 -4.361 1.00 0.00 N ATOM 1110 CA LEU A 71 1.078 11.445 -3.341 1.00 0.00 C ATOM 1111 C LEU A 71 2.452 11.790 -3.917 1.00 0.00 C ATOM 1112 O LEU A 71 2.873 12.946 -3.894 1.00 0.00 O ATOM 1113 CB LEU A 71 1.184 10.342 -2.295 1.00 0.00 C ATOM 1114 CG LEU A 71 2.390 10.390 -1.367 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.972 10.852 0.014 1.00 0.00 C ATOM 1116 CD2 LEU A 71 3.029 9.017 -1.294 1.00 0.00 C ATOM 0 H LEU A 71 0.070 9.954 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 71 0.699 12.367 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.283 10.367 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.191 9.383 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 71 3.117 11.101 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.844 10.882 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.534 11.848 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.236 10.159 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.892 9.052 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.305 8.299 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.350 8.712 -2.290 1.00 0.00 H new ATOM 1128 N ASN A 72 3.149 10.776 -4.418 1.00 0.00 N ATOM 1129 CA ASN A 72 4.482 10.959 -4.986 1.00 0.00 C ATOM 1130 C ASN A 72 4.511 12.095 -6.008 1.00 0.00 C ATOM 1131 O ASN A 72 5.559 12.688 -6.257 1.00 0.00 O ATOM 1132 CB ASN A 72 4.959 9.662 -5.640 1.00 0.00 C ATOM 1133 CG ASN A 72 6.422 9.716 -6.035 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.241 10.324 -5.345 1.00 0.00 O ATOM 1135 ND2 ASN A 72 6.758 9.080 -7.151 1.00 0.00 N ATOM 0 H ASN A 72 2.812 9.814 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 72 5.153 11.225 -4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.802 8.832 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.354 9.461 -6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.728 9.083 -7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.046 8.589 -7.692 1.00 0.00 H new ATOM 1142 N ASN A 73 3.359 12.388 -6.603 1.00 0.00 N ATOM 1143 CA ASN A 73 3.266 13.447 -7.600 1.00 0.00 C ATOM 1144 C ASN A 73 2.970 14.805 -6.961 1.00 0.00 C ATOM 1145 O ASN A 73 2.782 15.796 -7.667 1.00 0.00 O ATOM 1146 CB ASN A 73 2.183 13.111 -8.625 1.00 0.00 C ATOM 1147 CG ASN A 73 2.709 12.262 -9.766 1.00 0.00 C ATOM 1148 OD1 ASN A 73 2.580 12.625 -10.935 1.00 0.00 O ATOM 1149 ND2 ASN A 73 3.304 11.124 -9.432 1.00 0.00 N ATOM 0 H ASN A 73 2.479 11.908 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 73 4.233 13.515 -8.098 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.368 12.583 -8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.767 14.035 -9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.676 10.511 -10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.389 10.862 -8.450 1.00 0.00 H new ATOM 1156 N HIS A 74 2.921 14.853 -5.631 1.00 0.00 N ATOM 1157 CA HIS A 74 2.637 16.105 -4.934 1.00 0.00 C ATOM 1158 C HIS A 74 3.358 16.200 -3.596 1.00 0.00 C ATOM 1159 O HIS A 74 2.910 16.913 -2.702 1.00 0.00 O ATOM 1160 CB HIS A 74 1.131 16.262 -4.727 1.00 0.00 C ATOM 1161 CG HIS A 74 0.381 16.550 -5.992 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.283 17.812 -6.538 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.308 15.729 -6.820 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.433 17.755 -7.647 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.803 16.503 -7.841 1.00 0.00 N ATOM 0 H HIS A 74 3.072 14.050 -5.021 1.00 0.00 H new ATOM 0 HA HIS A 74 3.009 16.915 -5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.737 15.350 -4.280 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.952 17.069 -4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.443 14.664 -6.700 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.675 18.591 -8.286 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.365 16.165 -8.622 1.00 0.00 H new ATOM 1174 N LEU A 75 4.496 15.514 -3.471 1.00 0.00 N ATOM 1175 CA LEU A 75 5.284 15.575 -2.240 1.00 0.00 C ATOM 1176 C LEU A 75 5.483 17.035 -1.848 1.00 0.00 C ATOM 1177 O LEU A 75 6.413 17.689 -2.317 1.00 0.00 O ATOM 1178 CB LEU A 75 6.648 14.908 -2.446 1.00 0.00 C ATOM 1179 CG LEU A 75 6.880 13.624 -1.648 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.346 13.764 -0.229 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.235 12.441 -2.347 1.00 0.00 C ATOM 0 H LEU A 75 4.889 14.916 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 75 4.753 15.046 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.767 14.683 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.427 15.624 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 75 7.954 13.448 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.522 12.838 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.857 14.586 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.276 13.968 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.410 11.536 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.162 12.613 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.669 12.324 -3.340 1.00 0.00 H new ATOM 1193 N GLN A 76 4.581 17.546 -1.024 1.00 0.00 N ATOM 1194 CA GLN A 76 4.633 18.940 -0.606 1.00 0.00 C ATOM 1195 C GLN A 76 5.884 19.233 0.219 1.00 0.00 C ATOM 1196 O GLN A 76 5.803 19.503 1.418 1.00 0.00 O ATOM 1197 CB GLN A 76 3.381 19.301 0.196 1.00 0.00 C ATOM 1198 CG GLN A 76 3.132 20.798 0.291 1.00 0.00 C ATOM 1199 CD GLN A 76 1.657 21.139 0.394 1.00 0.00 C ATOM 1200 OE1 GLN A 76 0.798 20.354 -0.004 1.00 0.00 O ATOM 1201 NE2 GLN A 76 1.358 22.316 0.933 1.00 0.00 N ATOM 0 H GLN A 76 3.803 17.016 -0.631 1.00 0.00 H new ATOM 0 HA GLN A 76 4.673 19.553 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.515 18.825 -0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.473 18.891 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.654 21.195 1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.554 21.289 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.103 22.936 1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.383 22.600 1.030 1.00 0.00 H new ATOM 1210 N GLY A 77 7.041 19.181 -0.432 1.00 0.00 N ATOM 1211 CA GLY A 77 8.294 19.447 0.252 1.00 0.00 C ATOM 1212 C GLY A 77 8.508 18.545 1.450 1.00 0.00 C ATOM 1213 O GLY A 77 9.169 18.930 2.415 1.00 0.00 O ATOM 0 H GLY A 77 7.134 18.959 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.120 19.317 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.312 20.487 0.577 1.00 0.00 H new ATOM 1217 N GLY A 78 7.947 17.343 1.391 1.00 0.00 N ATOM 1218 CA GLY A 78 8.091 16.402 2.484 1.00 0.00 C ATOM 1219 C GLY A 78 8.328 14.986 1.999 1.00 0.00 C ATOM 1220 O GLY A 78 7.667 14.049 2.445 1.00 0.00 O ATOM 0 H GLY A 78 7.394 17.003 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.922 16.710 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.193 16.426 3.102 1.00 0.00 H new ATOM 1224 N LYS A 79 9.273 14.835 1.078 1.00 0.00 N ATOM 1225 CA LYS A 79 9.601 13.528 0.520 1.00 0.00 C ATOM 1226 C LYS A 79 9.959 12.528 1.613 1.00 0.00 C ATOM 1227 O LYS A 79 9.638 11.347 1.508 1.00 0.00 O ATOM 1228 CB LYS A 79 10.759 13.651 -0.472 1.00 0.00 C ATOM 1229 CG LYS A 79 11.907 14.509 0.035 1.00 0.00 C ATOM 1230 CD LYS A 79 13.255 13.863 -0.244 1.00 0.00 C ATOM 1231 CE LYS A 79 13.405 12.544 0.496 1.00 0.00 C ATOM 1232 NZ LYS A 79 14.213 12.691 1.740 1.00 0.00 N ATOM 0 H LYS A 79 9.827 15.604 0.701 1.00 0.00 H new ATOM 0 HA LYS A 79 8.717 13.159 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.136 12.655 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.384 14.074 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.867 15.489 -0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.795 14.670 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.364 13.695 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.054 14.542 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.418 12.155 0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.878 11.812 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.291 11.769 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.163 13.037 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.749 13.370 2.377 1.00 0.00 H new ATOM 1246 N HIS A 80 10.628 13.007 2.657 1.00 0.00 N ATOM 1247 CA HIS A 80 11.039 12.150 3.768 1.00 0.00 C ATOM 1248 C HIS A 80 9.910 11.226 4.213 1.00 0.00 C ATOM 1249 O HIS A 80 10.152 10.095 4.633 1.00 0.00 O ATOM 1250 CB HIS A 80 11.513 13.000 4.948 1.00 0.00 C ATOM 1251 CG HIS A 80 10.451 13.897 5.505 1.00 0.00 C ATOM 1252 ND1 HIS A 80 10.359 15.237 5.195 1.00 0.00 N ATOM 1253 CD2 HIS A 80 9.431 13.638 6.356 1.00 0.00 C ATOM 1254 CE1 HIS A 80 9.328 15.764 5.832 1.00 0.00 C ATOM 1255 NE2 HIS A 80 8.748 14.815 6.543 1.00 0.00 N ATOM 0 H HIS A 80 10.898 13.985 2.759 1.00 0.00 H new ATOM 0 HA HIS A 80 11.863 11.529 3.417 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.872 12.341 5.739 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.360 13.608 4.630 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.198 12.684 6.805 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.013 16.796 5.780 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.926 14.936 7.135 1.00 0.00 H new ATOM 1264 N THR A 81 8.677 11.705 4.104 1.00 0.00 N ATOM 1265 CA THR A 81 7.520 10.909 4.480 1.00 0.00 C ATOM 1266 C THR A 81 7.339 9.777 3.489 1.00 0.00 C ATOM 1267 O THR A 81 7.648 8.623 3.785 1.00 0.00 O ATOM 1268 CB THR A 81 6.270 11.793 4.526 1.00 0.00 C ATOM 1269 OG1 THR A 81 6.143 12.404 5.797 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.968 11.064 4.238 1.00 0.00 C ATOM 0 H THR A 81 8.455 12.639 3.759 1.00 0.00 H new ATOM 0 HA THR A 81 7.677 10.485 5.472 1.00 0.00 H new ATOM 0 HB THR A 81 6.422 12.525 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.974 11.717 6.475 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.137 11.768 4.292 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.009 10.627 3.240 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.823 10.274 4.975 1.00 0.00 H new ATOM 1278 N VAL A 82 6.850 10.123 2.306 1.00 0.00 N ATOM 1279 CA VAL A 82 6.633 9.144 1.255 1.00 0.00 C ATOM 1280 C VAL A 82 7.861 8.271 1.063 1.00 0.00 C ATOM 1281 O VAL A 82 7.738 7.074 0.849 1.00 0.00 O ATOM 1282 CB VAL A 82 6.283 9.814 -0.081 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.930 8.767 -1.129 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.145 10.801 0.106 1.00 0.00 C ATOM 0 H VAL A 82 6.596 11.078 2.052 1.00 0.00 H new ATOM 0 HA VAL A 82 5.792 8.527 1.570 1.00 0.00 H new ATOM 0 HB VAL A 82 7.156 10.363 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.685 9.261 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.780 8.102 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.072 8.187 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.908 11.268 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.266 10.276 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.442 11.568 0.821 1.00 0.00 H new ATOM 1294 N HIS A 83 9.052 8.864 1.155 1.00 0.00 N ATOM 1295 CA HIS A 83 10.279 8.093 0.996 1.00 0.00 C ATOM 1296 C HIS A 83 10.232 6.863 1.891 1.00 0.00 C ATOM 1297 O HIS A 83 10.612 5.766 1.485 1.00 0.00 O ATOM 1298 CB HIS A 83 11.509 8.944 1.333 1.00 0.00 C ATOM 1299 CG HIS A 83 12.450 9.112 0.181 1.00 0.00 C ATOM 1300 ND1 HIS A 83 13.588 8.349 0.021 1.00 0.00 N ATOM 1301 CD2 HIS A 83 12.419 9.963 -0.873 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.215 8.722 -1.080 1.00 0.00 C ATOM 1303 NE2 HIS A 83 13.527 9.700 -1.640 1.00 0.00 N ATOM 0 H HIS A 83 9.190 9.858 1.336 1.00 0.00 H new ATOM 0 HA HIS A 83 10.359 7.780 -0.045 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.180 9.927 1.670 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.043 8.484 2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.664 10.709 -1.072 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.134 8.299 -1.458 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.778 10.182 -2.503 1.00 0.00 H new ATOM 1312 N HIS A 84 9.741 7.057 3.108 1.00 0.00 N ATOM 1313 CA HIS A 84 9.617 5.963 4.057 1.00 0.00 C ATOM 1314 C HIS A 84 8.425 5.079 3.703 1.00 0.00 C ATOM 1315 O HIS A 84 8.408 3.889 4.019 1.00 0.00 O ATOM 1316 CB HIS A 84 9.466 6.502 5.481 1.00 0.00 C ATOM 1317 CG HIS A 84 9.804 5.498 6.538 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.859 4.701 7.150 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.993 5.162 7.094 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.452 3.919 8.035 1.00 0.00 C ATOM 1321 NE2 HIS A 84 10.746 4.179 8.019 1.00 0.00 N ATOM 0 H HIS A 84 9.423 7.960 3.459 1.00 0.00 H new ATOM 0 HA HIS A 84 10.525 5.362 4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.108 7.374 5.601 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.440 6.839 5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.956 5.588 6.854 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.961 3.191 8.664 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.449 3.723 8.600 1.00 0.00 H new ATOM 1330 N ILE A 85 7.427 5.670 3.047 1.00 0.00 N ATOM 1331 CA ILE A 85 6.232 4.928 2.657 1.00 0.00 C ATOM 1332 C ILE A 85 6.438 4.218 1.317 1.00 0.00 C ATOM 1333 O ILE A 85 5.942 3.113 1.118 1.00 0.00 O ATOM 1334 CB ILE A 85 4.952 5.827 2.627 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.509 6.176 1.208 1.00 0.00 C ATOM 1336 CG2 ILE A 85 5.141 7.097 3.432 1.00 0.00 C ATOM 1337 CD1 ILE A 85 3.031 6.499 1.113 1.00 0.00 C ATOM 0 H ILE A 85 7.423 6.654 2.777 1.00 0.00 H new ATOM 0 HA ILE A 85 6.067 4.171 3.424 1.00 0.00 H new ATOM 0 HB ILE A 85 4.162 5.232 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.086 7.030 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.736 5.340 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.231 7.695 3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.357 6.841 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.972 7.669 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.777 6.739 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.449 5.637 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.804 7.353 1.751 1.00 0.00 H new ATOM 1349 N GLU A 86 7.175 4.848 0.405 1.00 0.00 N ATOM 1350 CA GLU A 86 7.443 4.254 -0.903 1.00 0.00 C ATOM 1351 C GLU A 86 8.405 3.086 -0.761 1.00 0.00 C ATOM 1352 O GLU A 86 8.181 2.019 -1.331 1.00 0.00 O ATOM 1353 CB GLU A 86 8.003 5.294 -1.883 1.00 0.00 C ATOM 1354 CG GLU A 86 9.078 6.191 -1.297 1.00 0.00 C ATOM 1355 CD GLU A 86 10.301 6.301 -2.190 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.499 5.406 -3.039 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.059 7.282 -2.043 1.00 0.00 O ATOM 0 H GLU A 86 7.596 5.766 0.546 1.00 0.00 H new ATOM 0 HA GLU A 86 6.500 3.888 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.412 4.775 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.183 5.916 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.664 7.186 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.378 5.803 -0.323 1.00 0.00 H new ATOM 1364 N GLN A 87 9.462 3.270 0.025 1.00 0.00 N ATOM 1365 CA GLN A 87 10.417 2.196 0.248 1.00 0.00 C ATOM 1366 C GLN A 87 9.705 1.026 0.912 1.00 0.00 C ATOM 1367 O GLN A 87 10.072 -0.134 0.724 1.00 0.00 O ATOM 1368 CB GLN A 87 11.587 2.675 1.115 1.00 0.00 C ATOM 1369 CG GLN A 87 12.549 3.614 0.398 1.00 0.00 C ATOM 1370 CD GLN A 87 12.812 3.211 -1.042 1.00 0.00 C ATOM 1371 OE1 GLN A 87 13.843 2.616 -1.355 1.00 0.00 O ATOM 1372 NE2 GLN A 87 11.874 3.533 -1.925 1.00 0.00 N ATOM 0 H GLN A 87 9.675 4.141 0.511 1.00 0.00 H new ATOM 0 HA GLN A 87 10.825 1.877 -0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.190 3.181 1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.141 1.806 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.143 4.625 0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.494 3.640 0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.035 4.027 -1.621 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.993 3.287 -2.908 1.00 0.00 H new ATOM 1381 N ASN A 88 8.664 1.351 1.674 1.00 0.00 N ATOM 1382 CA ASN A 88 7.864 0.348 2.355 1.00 0.00 C ATOM 1383 C ASN A 88 6.819 -0.228 1.404 1.00 0.00 C ATOM 1384 O ASN A 88 6.856 -1.411 1.071 1.00 0.00 O ATOM 1385 CB ASN A 88 7.180 0.957 3.580 1.00 0.00 C ATOM 1386 CG ASN A 88 7.979 0.748 4.852 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.590 -0.030 5.723 1.00 0.00 O ATOM 1388 ND2 ASN A 88 9.104 1.444 4.965 1.00 0.00 N ATOM 0 H ASN A 88 8.356 2.310 1.833 1.00 0.00 H new ATOM 0 HA ASN A 88 8.522 -0.457 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 88 7.033 2.025 3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.191 0.514 3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.684 1.345 5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.389 2.078 4.218 1.00 0.00 H new ATOM 1395 N ILE A 89 5.886 0.619 0.970 1.00 0.00 N ATOM 1396 CA ILE A 89 4.826 0.194 0.061 1.00 0.00 C ATOM 1397 C ILE A 89 5.393 -0.466 -1.180 1.00 0.00 C ATOM 1398 O ILE A 89 4.977 -1.564 -1.551 1.00 0.00 O ATOM 1399 CB ILE A 89 3.891 1.372 -0.331 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.527 1.157 0.297 1.00 0.00 C ATOM 1401 CG2 ILE A 89 3.736 1.534 -1.845 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.020 2.362 1.064 1.00 0.00 C ATOM 0 H ILE A 89 5.844 1.603 1.234 1.00 0.00 H new ATOM 0 HA ILE A 89 4.228 -0.542 0.599 1.00 0.00 H new ATOM 0 HB ILE A 89 4.351 2.287 0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.811 0.906 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.576 0.301 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.072 2.372 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.712 1.723 -2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.314 0.622 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.040 2.139 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.716 2.601 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.939 3.215 0.390 1.00 0.00 H new ATOM 1414 N LYS A 90 6.339 0.193 -1.828 1.00 0.00 N ATOM 1415 CA LYS A 90 6.932 -0.377 -3.021 1.00 0.00 C ATOM 1416 C LYS A 90 7.579 -1.713 -2.685 1.00 0.00 C ATOM 1417 O LYS A 90 7.639 -2.615 -3.519 1.00 0.00 O ATOM 1418 CB LYS A 90 7.953 0.577 -3.643 1.00 0.00 C ATOM 1419 CG LYS A 90 7.397 1.965 -3.924 1.00 0.00 C ATOM 1420 CD LYS A 90 6.821 2.060 -5.327 1.00 0.00 C ATOM 1421 CE LYS A 90 7.906 1.935 -6.384 1.00 0.00 C ATOM 1422 NZ LYS A 90 7.589 2.730 -7.602 1.00 0.00 N ATOM 0 H LYS A 90 6.706 1.105 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 90 6.144 -0.538 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.809 0.666 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.320 0.146 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.623 2.203 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.187 2.706 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.079 1.274 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.304 3.012 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.857 2.270 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.028 0.887 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.353 2.618 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.694 2.394 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.497 3.734 -7.347 1.00 0.00 H new ATOM 1436 N GLU A 91 8.038 -1.838 -1.443 1.00 0.00 N ATOM 1437 CA GLU A 91 8.652 -3.070 -0.969 1.00 0.00 C ATOM 1438 C GLU A 91 7.595 -3.988 -0.350 1.00 0.00 C ATOM 1439 O GLU A 91 7.893 -5.112 0.053 1.00 0.00 O ATOM 1440 CB GLU A 91 9.745 -2.764 0.055 1.00 0.00 C ATOM 1441 CG GLU A 91 10.530 -3.992 0.493 1.00 0.00 C ATOM 1442 CD GLU A 91 12.020 -3.852 0.244 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.426 -3.842 -0.937 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.780 -3.755 1.230 1.00 0.00 O ATOM 0 H GLU A 91 7.995 -1.096 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 91 9.104 -3.578 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.435 -2.034 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.291 -2.302 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.358 -4.169 1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.157 -4.866 -0.040 1.00 0.00 H new ATOM 1451 N ILE A 92 6.352 -3.499 -0.287 1.00 0.00 N ATOM 1452 CA ILE A 92 5.251 -4.265 0.267 1.00 0.00 C ATOM 1453 C ILE A 92 4.769 -5.275 -0.761 1.00 0.00 C ATOM 1454 O ILE A 92 4.470 -6.421 -0.431 1.00 0.00 O ATOM 1455 CB ILE A 92 4.093 -3.339 0.724 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.085 -3.223 2.250 1.00 0.00 C ATOM 1457 CG2 ILE A 92 2.742 -3.836 0.231 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.418 -2.811 2.835 1.00 0.00 C ATOM 0 H ILE A 92 6.091 -2.570 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 92 5.604 -4.797 1.150 1.00 0.00 H new ATOM 0 HB ILE A 92 4.263 -2.356 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.328 -2.497 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.791 -4.182 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.959 -3.160 0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.742 -3.870 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.556 -4.835 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.336 -2.750 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.175 -3.549 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.705 -1.838 2.437 1.00 0.00 H new ATOM 1470 N PHE A 93 4.721 -4.842 -2.016 1.00 0.00 N ATOM 1471 CA PHE A 93 4.301 -5.713 -3.102 1.00 0.00 C ATOM 1472 C PHE A 93 5.230 -6.925 -3.200 1.00 0.00 C ATOM 1473 O PHE A 93 4.838 -7.984 -3.686 1.00 0.00 O ATOM 1474 CB PHE A 93 4.301 -4.943 -4.431 1.00 0.00 C ATOM 1475 CG PHE A 93 5.543 -5.171 -5.241 1.00 0.00 C ATOM 1476 CD1 PHE A 93 6.785 -4.945 -4.678 1.00 0.00 C ATOM 1477 CD2 PHE A 93 5.472 -5.639 -6.540 1.00 0.00 C ATOM 1478 CE1 PHE A 93 7.936 -5.177 -5.394 1.00 0.00 C ATOM 1479 CE2 PHE A 93 6.624 -5.875 -7.265 1.00 0.00 C ATOM 1480 CZ PHE A 93 7.859 -5.645 -6.692 1.00 0.00 C ATOM 0 H PHE A 93 4.968 -3.895 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 93 3.289 -6.061 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.432 -5.241 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.198 -3.877 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.852 -4.582 -3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.508 -5.822 -6.992 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.900 -4.994 -4.942 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.559 -6.239 -8.280 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.761 -5.830 -7.256 1.00 0.00 H new ATOM 1490 N HIS A 94 6.473 -6.751 -2.745 1.00 0.00 N ATOM 1491 CA HIS A 94 7.466 -7.818 -2.793 1.00 0.00 C ATOM 1492 C HIS A 94 7.014 -8.990 -1.947 1.00 0.00 C ATOM 1493 O HIS A 94 6.721 -10.066 -2.464 1.00 0.00 O ATOM 1494 CB HIS A 94 8.824 -7.309 -2.307 1.00 0.00 C ATOM 1495 CG HIS A 94 9.979 -8.129 -2.791 1.00 0.00 C ATOM 1496 ND1 HIS A 94 10.900 -7.666 -3.708 1.00 0.00 N ATOM 1497 CD2 HIS A 94 10.363 -9.391 -2.481 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.798 -8.608 -3.940 1.00 0.00 C ATOM 1499 NE2 HIS A 94 11.494 -9.663 -3.208 1.00 0.00 N ATOM 0 H HIS A 94 6.813 -5.879 -2.339 1.00 0.00 H new ATOM 0 HA HIS A 94 7.570 -8.148 -3.827 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.956 -6.279 -2.638 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.829 -7.297 -1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.870 -10.059 -1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.638 -8.528 -4.614 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.016 -10.539 -3.186 1.00 0.00 H new ATOM 1508 N HIS A 95 6.929 -8.765 -0.644 1.00 0.00 N ATOM 1509 CA HIS A 95 6.478 -9.800 0.271 1.00 0.00 C ATOM 1510 C HIS A 95 5.047 -10.213 -0.064 1.00 0.00 C ATOM 1511 O HIS A 95 4.544 -11.210 0.453 1.00 0.00 O ATOM 1512 CB HIS A 95 6.557 -9.306 1.717 1.00 0.00 C ATOM 1513 CG HIS A 95 7.808 -9.725 2.425 1.00 0.00 C ATOM 1514 ND1 HIS A 95 7.807 -10.528 3.546 1.00 0.00 N ATOM 1515 CD2 HIS A 95 9.108 -9.447 2.164 1.00 0.00 C ATOM 1516 CE1 HIS A 95 9.052 -10.726 3.945 1.00 0.00 C ATOM 1517 NE2 HIS A 95 9.859 -10.081 3.122 1.00 0.00 N ATOM 0 H HIS A 95 7.166 -7.878 -0.199 1.00 0.00 H new ATOM 0 HA HIS A 95 7.130 -10.667 0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.492 -8.218 1.725 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.694 -9.681 2.268 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.483 -8.840 1.353 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.357 -11.314 4.798 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.877 -10.058 3.188 1.00 0.00 H new ATOM 1526 N LEU A 96 4.395 -9.443 -0.940 1.00 0.00 N ATOM 1527 CA LEU A 96 3.027 -9.743 -1.340 1.00 0.00 C ATOM 1528 C LEU A 96 3.014 -10.668 -2.545 1.00 0.00 C ATOM 1529 O LEU A 96 2.549 -11.806 -2.465 1.00 0.00 O ATOM 1530 CB LEU A 96 2.280 -8.453 -1.657 1.00 0.00 C ATOM 1531 CG LEU A 96 1.837 -7.658 -0.436 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.213 -6.338 -0.857 1.00 0.00 C ATOM 1533 CD2 LEU A 96 0.861 -8.459 0.411 1.00 0.00 C ATOM 0 H LEU A 96 4.793 -8.614 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 96 2.526 -10.247 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.920 -7.821 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.401 -8.695 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 96 2.720 -7.449 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.902 -5.784 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.943 -5.752 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.345 -6.531 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.560 -7.868 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.019 -8.706 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.341 -9.378 0.748 1.00 0.00 H new ATOM 1545 N GLU A 97 3.545 -10.181 -3.658 1.00 0.00 N ATOM 1546 CA GLU A 97 3.613 -10.973 -4.876 1.00 0.00 C ATOM 1547 C GLU A 97 4.588 -12.133 -4.700 1.00 0.00 C ATOM 1548 O GLU A 97 4.630 -13.048 -5.521 1.00 0.00 O ATOM 1549 CB GLU A 97 4.042 -10.101 -6.057 1.00 0.00 C ATOM 1550 CG GLU A 97 2.876 -9.496 -6.823 1.00 0.00 C ATOM 1551 CD GLU A 97 2.199 -10.495 -7.739 1.00 0.00 C ATOM 1552 OE1 GLU A 97 1.586 -11.453 -7.224 1.00 0.00 O ATOM 1553 OE2 GLU A 97 2.285 -10.321 -8.973 1.00 0.00 O ATOM 0 H GLU A 97 3.934 -9.242 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 97 2.621 -11.376 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.681 -9.298 -5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.643 -10.700 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.145 -9.104 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.233 -8.652 -7.413 1.00 0.00 H new ATOM 1560 N GLU A 98 5.368 -12.094 -3.618 1.00 0.00 N ATOM 1561 CA GLU A 98 6.332 -13.156 -3.343 1.00 0.00 C ATOM 1562 C GLU A 98 5.697 -14.264 -2.506 1.00 0.00 C ATOM 1563 O GLU A 98 6.259 -15.351 -2.369 1.00 0.00 O ATOM 1564 CB GLU A 98 7.558 -12.595 -2.620 1.00 0.00 C ATOM 1565 CG GLU A 98 8.643 -13.628 -2.369 1.00 0.00 C ATOM 1566 CD GLU A 98 8.610 -14.176 -0.956 1.00 0.00 C ATOM 1567 OE1 GLU A 98 7.514 -14.220 -0.362 1.00 0.00 O ATOM 1568 OE2 GLU A 98 9.683 -14.563 -0.445 1.00 0.00 O ATOM 0 H GLU A 98 5.351 -11.346 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 98 6.647 -13.578 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.975 -11.779 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.244 -12.171 -1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.528 -14.449 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.618 -13.179 -2.558 1.00 0.00 H new ATOM 1575 N LEU A 99 4.523 -13.981 -1.948 1.00 0.00 N ATOM 1576 CA LEU A 99 3.811 -14.948 -1.126 1.00 0.00 C ATOM 1577 C LEU A 99 3.027 -15.929 -1.991 1.00 0.00 C ATOM 1578 O LEU A 99 3.206 -17.143 -1.892 1.00 0.00 O ATOM 1579 CB LEU A 99 2.860 -14.222 -0.172 1.00 0.00 C ATOM 1580 CG LEU A 99 1.968 -15.128 0.676 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.707 -15.588 1.924 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.680 -14.409 1.048 1.00 0.00 C ATOM 0 H LEU A 99 4.045 -13.086 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 99 4.545 -15.511 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.450 -13.594 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.224 -13.557 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 99 1.711 -16.009 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.056 -16.232 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.600 -16.142 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.995 -14.720 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.056 -15.068 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.916 -13.511 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.143 -14.132 0.141 1.00 0.00 H new ATOM 1594 N VAL A 100 2.153 -15.394 -2.837 1.00 0.00 N ATOM 1595 CA VAL A 100 1.335 -16.217 -3.717 1.00 0.00 C ATOM 1596 C VAL A 100 2.185 -16.935 -4.761 1.00 0.00 C ATOM 1597 O VAL A 100 1.985 -18.121 -5.028 1.00 0.00 O ATOM 1598 CB VAL A 100 0.263 -15.373 -4.431 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.658 -16.260 -5.259 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.532 -14.561 -3.419 1.00 0.00 C ATOM 0 H VAL A 100 1.994 -14.391 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 100 0.846 -16.961 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 100 0.762 -14.681 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.408 -15.643 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.073 -16.793 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.153 -16.979 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.286 -13.970 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.021 -15.235 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.141 -13.896 -2.877 1.00 0.00 H new ATOM 1610 N HIS A 101 3.131 -16.212 -5.351 1.00 0.00 N ATOM 1611 CA HIS A 101 4.006 -16.786 -6.368 1.00 0.00 C ATOM 1612 C HIS A 101 4.799 -17.961 -5.807 1.00 0.00 C ATOM 1613 O HIS A 101 5.170 -18.878 -6.540 1.00 0.00 O ATOM 1614 CB HIS A 101 4.962 -15.722 -6.910 1.00 0.00 C ATOM 1615 CG HIS A 101 5.448 -16.006 -8.297 1.00 0.00 C ATOM 1616 ND1 HIS A 101 4.601 -16.184 -9.369 1.00 0.00 N ATOM 1617 CD2 HIS A 101 6.704 -16.144 -8.785 1.00 0.00 C ATOM 1618 CE1 HIS A 101 5.313 -16.420 -10.457 1.00 0.00 C ATOM 1619 NE2 HIS A 101 6.591 -16.400 -10.129 1.00 0.00 N ATOM 0 H HIS A 101 3.312 -15.230 -5.143 1.00 0.00 H new ATOM 0 HA HIS A 101 3.381 -17.151 -7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.459 -14.755 -6.901 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.820 -15.642 -6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 101 7.622 -16.067 -8.222 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.917 -16.599 -11.446 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.369 -16.550 -10.771 1.00 0.00 H new ATOM 1628 N ARG A 102 5.055 -17.931 -4.502 1.00 0.00 N ATOM 1629 CA ARG A 102 5.804 -18.998 -3.847 1.00 0.00 C ATOM 1630 C ARG A 102 5.090 -20.337 -4.002 1.00 0.00 C ATOM 1631 O ARG A 102 3.869 -20.388 -3.749 1.00 0.00 O ATOM 1632 CB ARG A 102 5.999 -18.679 -2.364 1.00 0.00 C ATOM 1633 CG ARG A 102 6.933 -19.643 -1.652 1.00 0.00 C ATOM 1634 CD ARG A 102 6.601 -19.750 -0.173 1.00 0.00 C ATOM 1635 NE ARG A 102 7.601 -20.526 0.558 1.00 0.00 N ATOM 1636 CZ ARG A 102 7.652 -21.856 0.557 1.00 0.00 C ATOM 1637 NH1 ARG A 102 6.762 -22.561 -0.130 1.00 0.00 N ATOM 1638 NH2 ARG A 102 8.595 -22.483 1.247 1.00 0.00 N ATOM 1639 OXT ARG A 102 5.760 -21.324 -4.376 1.00 0.00 O ATOM 0 H ARG A 102 4.755 -17.181 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 102 6.780 -19.069 -4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 102 6.392 -17.667 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.029 -18.693 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.862 -20.628 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.963 -19.308 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.533 -18.750 0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 102 5.623 -20.216 -0.054 1.00 0.00 H new ATOM 0 HE ARG A 102 8.300 -20.019 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.034 -22.084 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.806 -23.580 -0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.281 -21.946 1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.635 -23.502 1.247 1.00 0.00 H new TER 1653 ARG A 102