USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 776 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0689 USER MOD Set 3.1: A 43 HIS : no HD1:sc= -0.862 K(o=-0.86,f=-0.2) USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.02) USER MOD Single : A 1 GLN N :NH3+ 174:sc= 0 (180deg=-0.0316) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.748 X(o=-0.75,f=-0.43) USER MOD Single : A 11 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -165:sc= -1.06 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.825 USER MOD Single : A 34 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 38 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.7!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -179:sc= 0 (180deg=-0.00085) USER MOD Single : A 46 ASN : amide:sc= -0.0538 K(o=-0.054,f=-1.6!) USER MOD Single : A 47 ASN : amide:sc= -0.031 X(o=-0.031,f=-0.037) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.3!) USER MOD Single : A 56 GLN : amide:sc= 0.428 K(o=0.43,f=-6.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -41:sc= 0.921 USER MOD Single : A 72 MET CE :methyl 159:sc= -1.34 (180deg=-2.1!) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -0.0987 (180deg=-0.406) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0502 USER MOD Single : A 82 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3.8!) USER MOD Single : A 85 ASN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.031) USER MOD Single : A 89 HIS : no HD1:sc=-0.00498 X(o=-0.005,f=-0.095) USER MOD Single : A 90 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.33) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=-0.2) USER MOD Single : A 93 HIS : no HD1:sc= -0.726 K(o=-0.73,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.456 -19.287 4.000 1.00 0.00 N ATOM 2 CA GLN A 1 6.500 -20.419 4.185 1.00 0.00 C ATOM 3 C GLN A 1 5.101 -20.065 3.665 1.00 0.00 C ATOM 4 O GLN A 1 4.095 -20.401 4.294 1.00 0.00 O ATOM 5 CB GLN A 1 6.443 -20.767 5.678 1.00 0.00 C ATOM 6 CG GLN A 1 6.403 -22.262 5.956 1.00 0.00 C ATOM 7 CD GLN A 1 7.425 -22.693 6.994 1.00 0.00 C ATOM 8 OE1 GLN A 1 7.083 -23.345 7.981 1.00 0.00 O ATOM 9 NE2 GLN A 1 8.685 -22.332 6.777 1.00 0.00 N ATOM 0 H1 GLN A 1 8.363 -19.521 4.452 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.608 -19.123 2.984 1.00 0.00 H new ATOM 0 H3 GLN A 1 7.064 -18.427 4.434 1.00 0.00 H new ATOM 0 HA GLN A 1 6.848 -21.277 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.312 -20.337 6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 1 5.561 -20.301 6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 1 5.405 -22.537 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 1 6.583 -22.805 5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.925 -21.792 5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 1 9.413 -22.595 7.442 1.00 0.00 H new ATOM 18 N SER A 2 5.052 -19.385 2.510 1.00 0.00 N ATOM 19 CA SER A 2 3.790 -18.974 1.891 1.00 0.00 C ATOM 20 C SER A 2 3.055 -17.942 2.750 1.00 0.00 C ATOM 21 O SER A 2 3.320 -17.823 3.947 1.00 0.00 O ATOM 22 CB SER A 2 2.898 -20.189 1.635 1.00 0.00 C ATOM 23 OG SER A 2 3.430 -20.998 0.602 1.00 0.00 O ATOM 0 H SER A 2 5.881 -19.108 1.985 1.00 0.00 H new ATOM 0 HA SER A 2 4.026 -18.505 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.804 -20.775 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.895 -19.858 1.364 1.00 0.00 H new ATOM 0 HG SER A 2 2.844 -21.770 0.457 1.00 0.00 H new ATOM 29 N ASP A 3 2.138 -17.198 2.123 1.00 0.00 N ATOM 30 CA ASP A 3 1.357 -16.164 2.811 1.00 0.00 C ATOM 31 C ASP A 3 2.255 -15.022 3.291 1.00 0.00 C ATOM 32 O ASP A 3 3.136 -15.218 4.134 1.00 0.00 O ATOM 33 CB ASP A 3 0.579 -16.760 3.989 1.00 0.00 C ATOM 34 CG ASP A 3 -0.813 -17.211 3.590 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.742 -16.376 3.635 1.00 0.00 O ATOM 36 OD2 ASP A 3 -0.972 -18.396 3.226 1.00 0.00 O ATOM 0 H ASP A 3 1.917 -17.294 1.132 1.00 0.00 H new ATOM 0 HA ASP A 3 0.643 -15.758 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.131 -17.608 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.504 -16.019 4.785 1.00 0.00 H new ATOM 41 N VAL A 4 2.033 -13.829 2.743 1.00 0.00 N ATOM 42 CA VAL A 4 2.828 -12.661 3.108 1.00 0.00 C ATOM 43 C VAL A 4 2.031 -11.699 3.990 1.00 0.00 C ATOM 44 O VAL A 4 0.910 -11.316 3.653 1.00 0.00 O ATOM 45 CB VAL A 4 3.329 -11.908 1.857 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.355 -10.857 2.242 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.917 -12.877 0.839 1.00 0.00 C ATOM 0 H VAL A 4 1.311 -13.647 2.046 1.00 0.00 H new ATOM 0 HA VAL A 4 3.688 -13.028 3.669 1.00 0.00 H new ATOM 0 HB VAL A 4 2.476 -11.408 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.696 -10.337 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.902 -10.141 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.204 -11.338 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.263 -12.323 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.756 -13.410 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.153 -13.593 0.535 1.00 0.00 H new ATOM 57 N ARG A 5 2.624 -11.312 5.121 1.00 0.00 N ATOM 58 CA ARG A 5 1.977 -10.395 6.056 1.00 0.00 C ATOM 59 C ARG A 5 2.258 -8.944 5.670 1.00 0.00 C ATOM 60 O ARG A 5 3.409 -8.496 5.694 1.00 0.00 O ATOM 61 CB ARG A 5 2.464 -10.648 7.488 1.00 0.00 C ATOM 62 CG ARG A 5 2.316 -12.090 7.949 1.00 0.00 C ATOM 63 CD ARG A 5 3.670 -12.726 8.221 1.00 0.00 C ATOM 64 NE ARG A 5 4.140 -13.528 7.091 1.00 0.00 N ATOM 65 CZ ARG A 5 5.413 -13.886 6.904 1.00 0.00 C ATOM 66 NH1 ARG A 5 6.354 -13.522 7.773 1.00 0.00 N ATOM 67 NH2 ARG A 5 5.747 -14.612 5.844 1.00 0.00 N ATOM 0 H ARG A 5 3.552 -11.621 5.410 1.00 0.00 H new ATOM 0 HA ARG A 5 0.903 -10.574 6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.513 -10.361 7.560 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.910 -10.002 8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.708 -12.124 8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.788 -12.665 7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.399 -11.946 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.602 -13.356 9.108 1.00 0.00 H new ATOM 0 HE ARG A 5 3.452 -13.833 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.105 -12.965 8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.323 -13.800 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.032 -14.895 5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.719 -14.886 5.699 1.00 0.00 H new ATOM 81 N ILE A 6 1.203 -8.215 5.311 1.00 0.00 N ATOM 82 CA ILE A 6 1.334 -6.814 4.917 1.00 0.00 C ATOM 83 C ILE A 6 0.846 -5.883 6.024 1.00 0.00 C ATOM 84 O ILE A 6 -0.288 -6.005 6.495 1.00 0.00 O ATOM 85 CB ILE A 6 0.549 -6.511 3.621 1.00 0.00 C ATOM 86 CG1 ILE A 6 0.826 -7.575 2.553 1.00 0.00 C ATOM 87 CG2 ILE A 6 0.904 -5.126 3.097 1.00 0.00 C ATOM 88 CD1 ILE A 6 2.264 -7.607 2.080 1.00 0.00 C ATOM 0 H ILE A 6 0.248 -8.572 5.285 1.00 0.00 H new ATOM 0 HA ILE A 6 2.394 -6.637 4.737 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.515 -6.533 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.563 -8.554 2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.176 -7.395 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.343 -4.928 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.652 -4.377 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.972 -5.080 2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.382 -8.385 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.527 -6.641 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.920 -7.818 2.924 1.00 0.00 H new ATOM 100 N LYS A 7 1.708 -4.949 6.429 1.00 0.00 N ATOM 101 CA LYS A 7 1.368 -3.990 7.475 1.00 0.00 C ATOM 102 C LYS A 7 0.988 -2.641 6.866 1.00 0.00 C ATOM 103 O LYS A 7 1.815 -1.982 6.230 1.00 0.00 O ATOM 104 CB LYS A 7 2.538 -3.817 8.449 1.00 0.00 C ATOM 105 CG LYS A 7 2.101 -3.494 9.872 1.00 0.00 C ATOM 106 CD LYS A 7 3.245 -3.654 10.865 1.00 0.00 C ATOM 107 CE LYS A 7 3.654 -5.113 11.016 1.00 0.00 C ATOM 108 NZ LYS A 7 4.126 -5.428 12.395 1.00 0.00 N ATOM 0 H LYS A 7 2.647 -4.838 6.047 1.00 0.00 H new ATOM 0 HA LYS A 7 0.511 -4.378 8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.131 -4.731 8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.187 -3.020 8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.724 -2.472 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.278 -4.149 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.101 -3.068 10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.944 -3.257 11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.807 -5.753 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.445 -5.342 10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.393 -6.432 12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.951 -4.837 12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.363 -5.235 13.075 1.00 0.00 H new ATOM 122 N PHE A 8 -0.266 -2.240 7.067 1.00 0.00 N ATOM 123 CA PHE A 8 -0.765 -0.972 6.542 1.00 0.00 C ATOM 124 C PHE A 8 -0.999 0.028 7.675 1.00 0.00 C ATOM 125 O PHE A 8 -1.608 -0.308 8.693 1.00 0.00 O ATOM 126 CB PHE A 8 -2.068 -1.190 5.765 1.00 0.00 C ATOM 127 CG PHE A 8 -1.892 -1.969 4.486 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.093 -1.480 3.462 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.531 -3.186 4.309 1.00 0.00 C ATOM 130 CE1 PHE A 8 -0.937 -2.192 2.288 1.00 0.00 C ATOM 131 CE2 PHE A 8 -2.377 -3.901 3.136 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.580 -3.404 2.124 1.00 0.00 C ATOM 0 H PHE A 8 -0.956 -2.777 7.591 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.012 -0.566 5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.778 -1.715 6.404 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.507 -0.220 5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.588 -0.533 3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.156 -3.580 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.312 -1.801 1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.880 -4.848 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.459 -3.961 1.207 1.00 0.00 H new ATOM 142 N GLU A 9 -0.510 1.256 7.486 1.00 0.00 N ATOM 143 CA GLU A 9 -0.662 2.306 8.490 1.00 0.00 C ATOM 144 C GLU A 9 -1.443 3.497 7.931 1.00 0.00 C ATOM 145 O GLU A 9 -1.170 3.965 6.823 1.00 0.00 O ATOM 146 CB GLU A 9 0.709 2.764 8.993 1.00 0.00 C ATOM 147 CG GLU A 9 1.256 1.904 10.126 1.00 0.00 C ATOM 148 CD GLU A 9 2.734 1.601 9.977 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.092 0.793 9.091 1.00 0.00 O ATOM 150 OE2 GLU A 9 3.536 2.166 10.750 1.00 0.00 O ATOM 0 H GLU A 9 -0.006 1.545 6.647 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.227 1.892 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.415 2.751 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.637 3.797 9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.089 2.413 11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.700 0.967 10.165 1.00 0.00 H new ATOM 157 N HIS A 10 -2.414 3.979 8.711 1.00 0.00 N ATOM 158 CA HIS A 10 -3.241 5.113 8.307 1.00 0.00 C ATOM 159 C HIS A 10 -3.523 6.031 9.497 1.00 0.00 C ATOM 160 O HIS A 10 -4.169 5.621 10.464 1.00 0.00 O ATOM 161 CB HIS A 10 -4.560 4.618 7.705 1.00 0.00 C ATOM 162 CG HIS A 10 -5.051 5.444 6.552 1.00 0.00 C ATOM 163 ND1 HIS A 10 -6.373 5.484 6.167 1.00 0.00 N ATOM 164 CD2 HIS A 10 -4.389 6.258 5.697 1.00 0.00 C ATOM 165 CE1 HIS A 10 -6.504 6.284 5.123 1.00 0.00 C ATOM 166 NE2 HIS A 10 -5.315 6.768 4.819 1.00 0.00 N ATOM 0 H HIS A 10 -2.645 3.598 9.629 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.696 5.681 7.554 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.432 3.588 7.373 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.323 4.609 8.484 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.133 4.975 6.618 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.330 6.468 5.704 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.427 6.504 4.607 1.00 0.00 H new ATOM 175 N ASN A 11 -3.028 7.270 9.419 1.00 0.00 N ATOM 176 CA ASN A 11 -3.216 8.260 10.488 1.00 0.00 C ATOM 177 C ASN A 11 -2.701 7.734 11.832 1.00 0.00 C ATOM 178 O ASN A 11 -3.282 8.016 12.883 1.00 0.00 O ATOM 179 CB ASN A 11 -4.697 8.650 10.605 1.00 0.00 C ATOM 180 CG ASN A 11 -5.072 9.812 9.704 1.00 0.00 C ATOM 181 OD1 ASN A 11 -4.268 10.714 9.466 1.00 0.00 O ATOM 182 ND2 ASN A 11 -6.301 9.800 9.198 1.00 0.00 N ATOM 0 H ASN A 11 -2.491 7.614 8.623 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.636 9.145 10.226 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.316 7.788 10.355 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.918 8.912 11.640 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.609 10.557 8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.936 9.034 9.420 1.00 0.00 H new ATOM 189 N GLY A 12 -1.612 6.964 11.795 1.00 0.00 N ATOM 190 CA GLY A 12 -1.045 6.410 13.014 1.00 0.00 C ATOM 191 C GLY A 12 -1.542 5.000 13.314 1.00 0.00 C ATOM 192 O GLY A 12 -0.837 4.214 13.948 1.00 0.00 O ATOM 0 H GLY A 12 -1.113 6.715 10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.042 6.396 12.929 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.291 7.062 13.852 1.00 0.00 H new ATOM 196 N GLU A 13 -2.756 4.680 12.854 1.00 0.00 N ATOM 197 CA GLU A 13 -3.343 3.358 13.072 1.00 0.00 C ATOM 198 C GLU A 13 -2.536 2.272 12.360 1.00 0.00 C ATOM 199 O GLU A 13 -1.916 2.527 11.325 1.00 0.00 O ATOM 200 CB GLU A 13 -4.796 3.338 12.587 1.00 0.00 C ATOM 201 CG GLU A 13 -5.681 2.354 13.335 1.00 0.00 C ATOM 202 CD GLU A 13 -6.949 2.021 12.573 1.00 0.00 C ATOM 203 OE1 GLU A 13 -6.872 1.227 11.610 1.00 0.00 O ATOM 204 OE2 GLU A 13 -8.018 2.552 12.939 1.00 0.00 O ATOM 0 H GLU A 13 -3.350 5.321 12.328 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.321 3.151 14.142 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.216 4.339 12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.811 3.091 11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.122 1.437 13.523 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.944 2.772 14.307 1.00 0.00 H new ATOM 211 N ARG A 14 -2.547 1.063 12.925 1.00 0.00 N ATOM 212 CA ARG A 14 -1.811 -0.065 12.352 1.00 0.00 C ATOM 213 C ARG A 14 -2.727 -1.271 12.122 1.00 0.00 C ATOM 214 O ARG A 14 -3.631 -1.536 12.917 1.00 0.00 O ATOM 215 CB ARG A 14 -0.656 -0.468 13.273 1.00 0.00 C ATOM 216 CG ARG A 14 0.472 0.553 13.327 1.00 0.00 C ATOM 217 CD ARG A 14 1.793 -0.044 12.867 1.00 0.00 C ATOM 218 NE ARG A 14 2.245 -1.123 13.748 1.00 0.00 N ATOM 219 CZ ARG A 14 2.824 -0.927 14.937 1.00 0.00 C ATOM 220 NH1 ARG A 14 3.035 0.306 15.393 1.00 0.00 N ATOM 221 NH2 ARG A 14 3.195 -1.972 15.676 1.00 0.00 N ATOM 0 H ARG A 14 -3.058 0.840 13.779 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.415 0.255 11.388 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.043 -0.621 14.280 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.253 -1.424 12.938 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.220 1.407 12.699 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.576 0.927 14.346 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.684 -0.427 11.852 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.552 0.738 12.833 1.00 0.00 H new ATOM 0 HE ARG A 14 2.110 -2.084 13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.754 1.112 14.834 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.477 0.445 16.301 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.037 -2.920 15.334 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.637 -1.824 16.583 1.00 0.00 H new ATOM 235 N ARG A 15 -2.477 -2.003 11.032 1.00 0.00 N ATOM 236 CA ARG A 15 -3.269 -3.186 10.695 1.00 0.00 C ATOM 237 C ARG A 15 -2.425 -4.222 9.951 1.00 0.00 C ATOM 238 O ARG A 15 -1.711 -3.889 9.003 1.00 0.00 O ATOM 239 CB ARG A 15 -4.481 -2.793 9.843 1.00 0.00 C ATOM 240 CG ARG A 15 -5.813 -2.970 10.558 1.00 0.00 C ATOM 241 CD ARG A 15 -6.927 -3.337 9.588 1.00 0.00 C ATOM 242 NE ARG A 15 -7.302 -4.749 9.684 1.00 0.00 N ATOM 243 CZ ARG A 15 -8.438 -5.258 9.197 1.00 0.00 C ATOM 244 NH1 ARG A 15 -9.313 -4.479 8.564 1.00 0.00 N ATOM 245 NH2 ARG A 15 -8.701 -6.553 9.340 1.00 0.00 N ATOM 0 H ARG A 15 -1.731 -1.795 10.368 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.616 -3.631 11.627 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.378 -1.752 9.538 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.484 -3.393 8.933 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.719 -3.748 11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.072 -2.048 11.078 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.800 -2.717 9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.607 -3.116 8.570 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.656 -5.384 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.119 -3.484 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.177 -4.877 8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.036 -7.158 9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.568 -6.941 8.968 1.00 0.00 H new ATOM 259 N ILE A 16 -2.516 -5.480 10.389 1.00 0.00 N ATOM 260 CA ILE A 16 -1.766 -6.571 9.770 1.00 0.00 C ATOM 261 C ILE A 16 -2.702 -7.502 8.998 1.00 0.00 C ATOM 262 O ILE A 16 -3.652 -8.047 9.564 1.00 0.00 O ATOM 263 CB ILE A 16 -0.988 -7.395 10.823 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.168 -6.477 11.737 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.081 -8.411 10.139 1.00 0.00 C ATOM 266 CD1 ILE A 16 -0.308 -6.807 13.207 1.00 0.00 C ATOM 0 H ILE A 16 -3.104 -5.767 11.172 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.052 -6.118 9.082 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.711 -7.931 11.438 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.883 -6.543 11.456 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.477 -5.445 11.574 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.459 -8.983 10.894 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.684 -9.088 9.534 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.632 -7.890 9.499 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.299 -6.118 13.794 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.353 -6.713 13.503 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.029 -7.828 13.384 1.00 0.00 H new ATOM 278 N ILE A 17 -2.429 -7.676 7.704 1.00 0.00 N ATOM 279 CA ILE A 17 -3.249 -8.538 6.852 1.00 0.00 C ATOM 280 C ILE A 17 -2.377 -9.469 6.008 1.00 0.00 C ATOM 281 O ILE A 17 -1.433 -9.024 5.351 1.00 0.00 O ATOM 282 CB ILE A 17 -4.158 -7.710 5.912 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.906 -6.625 6.698 1.00 0.00 C ATOM 284 CG2 ILE A 17 -5.145 -8.616 5.185 1.00 0.00 C ATOM 285 CD1 ILE A 17 -5.533 -5.566 5.818 1.00 0.00 C ATOM 0 H ILE A 17 -1.647 -7.232 7.223 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.875 -9.132 7.517 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.526 -7.222 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.685 -7.095 7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.214 -6.147 7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.775 -8.015 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.598 -9.348 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.769 -9.133 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.045 -4.832 6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.756 -5.070 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.250 -6.032 5.143 1.00 0.00 H new ATOM 297 N ALA A 18 -2.703 -10.764 6.028 1.00 0.00 N ATOM 298 CA ALA A 18 -1.954 -11.759 5.263 1.00 0.00 C ATOM 299 C ALA A 18 -2.646 -12.068 3.937 1.00 0.00 C ATOM 300 O ALA A 18 -3.851 -12.329 3.901 1.00 0.00 O ATOM 301 CB ALA A 18 -1.777 -13.034 6.078 1.00 0.00 C ATOM 0 H ALA A 18 -3.481 -11.146 6.566 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.970 -11.344 5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.217 -13.764 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.232 -12.807 6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.755 -13.444 6.330 1.00 0.00 H new ATOM 307 N PHE A 19 -1.874 -12.042 2.851 1.00 0.00 N ATOM 308 CA PHE A 19 -2.405 -12.321 1.521 1.00 0.00 C ATOM 309 C PHE A 19 -1.827 -13.622 0.970 1.00 0.00 C ATOM 310 O PHE A 19 -0.617 -13.736 0.760 1.00 0.00 O ATOM 311 CB PHE A 19 -2.095 -11.164 0.566 1.00 0.00 C ATOM 312 CG PHE A 19 -3.001 -9.977 0.741 1.00 0.00 C ATOM 313 CD1 PHE A 19 -2.834 -9.111 1.811 1.00 0.00 C ATOM 314 CD2 PHE A 19 -4.024 -9.729 -0.161 1.00 0.00 C ATOM 315 CE1 PHE A 19 -3.664 -8.020 1.973 1.00 0.00 C ATOM 316 CE2 PHE A 19 -4.859 -8.639 -0.004 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.679 -7.785 1.068 1.00 0.00 C ATOM 0 H PHE A 19 -0.876 -11.830 2.869 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.486 -12.429 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.063 -10.847 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.173 -11.521 -0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.045 -9.292 2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.170 -10.396 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.519 -7.350 2.808 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.650 -8.455 -0.716 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.332 -6.935 1.197 1.00 0.00 H new ATOM 327 N SER A 20 -2.700 -14.601 0.738 1.00 0.00 N ATOM 328 CA SER A 20 -2.283 -15.901 0.212 1.00 0.00 C ATOM 329 C SER A 20 -1.904 -15.794 -1.265 1.00 0.00 C ATOM 330 O SER A 20 -2.561 -15.088 -2.034 1.00 0.00 O ATOM 331 CB SER A 20 -3.399 -16.937 0.388 1.00 0.00 C ATOM 332 OG SER A 20 -4.290 -16.563 1.427 1.00 0.00 O ATOM 0 H SER A 20 -3.703 -14.519 0.906 1.00 0.00 H new ATOM 0 HA SER A 20 -1.407 -16.224 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.950 -17.043 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.963 -17.910 0.613 1.00 0.00 H new ATOM 0 HG SER A 20 -4.992 -17.241 1.516 1.00 0.00 H new ATOM 338 N ARG A 21 -0.840 -16.496 -1.653 1.00 0.00 N ATOM 339 CA ARG A 21 -0.371 -16.479 -3.040 1.00 0.00 C ATOM 340 C ARG A 21 -1.346 -17.224 -3.958 1.00 0.00 C ATOM 341 O ARG A 21 -2.032 -18.151 -3.523 1.00 0.00 O ATOM 342 CB ARG A 21 1.026 -17.106 -3.137 1.00 0.00 C ATOM 343 CG ARG A 21 2.143 -16.094 -3.357 1.00 0.00 C ATOM 344 CD ARG A 21 2.157 -15.023 -2.272 1.00 0.00 C ATOM 345 NE ARG A 21 3.514 -14.695 -1.828 1.00 0.00 N ATOM 346 CZ ARG A 21 4.424 -14.065 -2.582 1.00 0.00 C ATOM 347 NH1 ARG A 21 4.137 -13.704 -3.832 1.00 0.00 N ATOM 348 NH2 ARG A 21 5.627 -13.799 -2.083 1.00 0.00 N ATOM 0 H ARG A 21 -0.287 -17.083 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.318 -15.440 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.228 -17.662 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.035 -17.826 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.103 -16.610 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.020 -15.622 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.673 -14.122 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.572 -15.366 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 21 3.784 -14.964 -0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.217 -13.907 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.837 -13.225 -4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.855 -14.075 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.322 -13.319 -2.655 1.00 0.00 H new ATOM 362 N PRO A 22 -1.421 -16.825 -5.245 1.00 0.00 N ATOM 363 CA PRO A 22 -0.619 -15.726 -5.796 1.00 0.00 C ATOM 364 C PRO A 22 -1.163 -14.349 -5.415 1.00 0.00 C ATOM 365 O PRO A 22 -2.361 -14.086 -5.542 1.00 0.00 O ATOM 366 CB PRO A 22 -0.731 -15.942 -7.305 1.00 0.00 C ATOM 367 CG PRO A 22 -2.059 -16.590 -7.495 1.00 0.00 C ATOM 368 CD PRO A 22 -2.303 -17.428 -6.265 1.00 0.00 C ATOM 0 HA PRO A 22 0.403 -15.737 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.670 -14.998 -7.846 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.075 -16.575 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.842 -15.842 -7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.065 -17.207 -8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.349 -17.394 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.055 -18.475 -6.439 1.00 0.00 H new ATOM 376 N VAL A 23 -0.272 -13.470 -4.955 1.00 0.00 N ATOM 377 CA VAL A 23 -0.659 -12.118 -4.566 1.00 0.00 C ATOM 378 C VAL A 23 -0.569 -11.165 -5.759 1.00 0.00 C ATOM 379 O VAL A 23 0.480 -11.052 -6.401 1.00 0.00 O ATOM 380 CB VAL A 23 0.205 -11.587 -3.393 1.00 0.00 C ATOM 381 CG1 VAL A 23 1.665 -11.450 -3.802 1.00 0.00 C ATOM 382 CG2 VAL A 23 -0.341 -10.262 -2.881 1.00 0.00 C ATOM 0 H VAL A 23 0.722 -13.672 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.693 -12.164 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 23 0.154 -12.314 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.245 -11.076 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.051 -12.423 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.745 -10.753 -4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.279 -9.906 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.330 -9.528 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.364 -10.401 -2.531 1.00 0.00 H new ATOM 392 N LYS A 24 -1.676 -10.490 -6.058 1.00 0.00 N ATOM 393 CA LYS A 24 -1.734 -9.555 -7.178 1.00 0.00 C ATOM 394 C LYS A 24 -1.914 -8.123 -6.684 1.00 0.00 C ATOM 395 O LYS A 24 -2.746 -7.863 -5.812 1.00 0.00 O ATOM 396 CB LYS A 24 -2.880 -9.933 -8.120 1.00 0.00 C ATOM 397 CG LYS A 24 -2.420 -10.550 -9.432 1.00 0.00 C ATOM 398 CD LYS A 24 -3.368 -11.644 -9.893 1.00 0.00 C ATOM 399 CE LYS A 24 -3.285 -11.859 -11.396 1.00 0.00 C ATOM 400 NZ LYS A 24 -4.480 -12.574 -11.925 1.00 0.00 N ATOM 0 H LYS A 24 -2.549 -10.574 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.790 -9.614 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.539 -10.636 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.469 -9.042 -8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.356 -9.776 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.418 -10.962 -9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.129 -12.574 -9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.389 -11.381 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.189 -10.895 -11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.387 -12.430 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.383 -12.700 -12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.558 -13.505 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.335 -12.017 -11.724 1.00 0.00 H new ATOM 414 N TYR A 25 -1.135 -7.198 -7.248 1.00 0.00 N ATOM 415 CA TYR A 25 -1.214 -5.787 -6.863 1.00 0.00 C ATOM 416 C TYR A 25 -2.633 -5.248 -7.039 1.00 0.00 C ATOM 417 O TYR A 25 -3.161 -4.581 -6.150 1.00 0.00 O ATOM 418 CB TYR A 25 -0.236 -4.940 -7.687 1.00 0.00 C ATOM 419 CG TYR A 25 -0.014 -3.558 -7.114 1.00 0.00 C ATOM 420 CD1 TYR A 25 -0.990 -2.572 -7.224 1.00 0.00 C ATOM 421 CD2 TYR A 25 1.166 -3.239 -6.454 1.00 0.00 C ATOM 422 CE1 TYR A 25 -0.795 -1.314 -6.694 1.00 0.00 C ATOM 423 CE2 TYR A 25 1.366 -1.982 -5.918 1.00 0.00 C ATOM 424 CZ TYR A 25 0.383 -1.023 -6.042 1.00 0.00 C ATOM 425 OH TYR A 25 0.577 0.227 -5.504 1.00 0.00 O ATOM 0 H TYR A 25 -0.444 -7.399 -7.971 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.941 -5.720 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.721 -5.459 -7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.614 -4.848 -8.705 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.916 -2.796 -7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.940 -3.986 -6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.562 -0.560 -6.790 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.288 -1.751 -5.404 1.00 0.00 H new ATOM 0 HH TYR A 25 1.527 0.349 -5.295 1.00 0.00 H new ATOM 435 N GLU A 26 -3.243 -5.544 -8.189 1.00 0.00 N ATOM 436 CA GLU A 26 -4.604 -5.089 -8.482 1.00 0.00 C ATOM 437 C GLU A 26 -5.589 -5.590 -7.426 1.00 0.00 C ATOM 438 O GLU A 26 -6.435 -4.834 -6.948 1.00 0.00 O ATOM 439 CB GLU A 26 -5.045 -5.576 -9.865 1.00 0.00 C ATOM 440 CG GLU A 26 -6.030 -4.643 -10.558 1.00 0.00 C ATOM 441 CD GLU A 26 -7.274 -5.359 -11.055 1.00 0.00 C ATOM 442 OE1 GLU A 26 -7.134 -6.410 -11.718 1.00 0.00 O ATOM 443 OE2 GLU A 26 -8.389 -4.865 -10.786 1.00 0.00 O ATOM 0 H GLU A 26 -2.816 -6.097 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.600 -3.999 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.164 -5.694 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.500 -6.561 -9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.323 -3.854 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.534 -4.160 -11.400 1.00 0.00 H new ATOM 450 N ASP A 27 -5.471 -6.873 -7.067 1.00 0.00 N ATOM 451 CA ASP A 27 -6.353 -7.477 -6.068 1.00 0.00 C ATOM 452 C ASP A 27 -6.147 -6.847 -4.693 1.00 0.00 C ATOM 453 O ASP A 27 -7.113 -6.533 -3.997 1.00 0.00 O ATOM 454 CB ASP A 27 -6.121 -8.991 -5.983 1.00 0.00 C ATOM 455 CG ASP A 27 -7.379 -9.767 -5.626 1.00 0.00 C ATOM 456 OD1 ASP A 27 -8.249 -9.215 -4.918 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.495 -10.935 -6.055 1.00 0.00 O ATOM 0 H ASP A 27 -4.774 -7.510 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.379 -7.291 -6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.740 -9.349 -6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.352 -9.194 -5.237 1.00 0.00 H new ATOM 462 N VAL A 28 -4.884 -6.659 -4.303 1.00 0.00 N ATOM 463 CA VAL A 28 -4.567 -6.064 -3.006 1.00 0.00 C ATOM 464 C VAL A 28 -4.987 -4.598 -2.966 1.00 0.00 C ATOM 465 O VAL A 28 -5.627 -4.159 -2.009 1.00 0.00 O ATOM 466 CB VAL A 28 -3.064 -6.177 -2.664 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.791 -5.627 -1.268 1.00 0.00 C ATOM 468 CG2 VAL A 28 -2.595 -7.623 -2.772 1.00 0.00 C ATOM 0 H VAL A 28 -4.070 -6.909 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.128 -6.626 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.503 -5.582 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.728 -5.715 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.086 -4.578 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.364 -6.194 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.534 -7.681 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.162 -8.242 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.753 -7.982 -3.789 1.00 0.00 H new ATOM 478 N GLU A 29 -4.634 -3.850 -4.011 1.00 0.00 N ATOM 479 CA GLU A 29 -4.988 -2.435 -4.094 1.00 0.00 C ATOM 480 C GLU A 29 -6.503 -2.256 -4.055 1.00 0.00 C ATOM 481 O GLU A 29 -7.008 -1.384 -3.353 1.00 0.00 O ATOM 482 CB GLU A 29 -4.413 -1.805 -5.366 1.00 0.00 C ATOM 483 CG GLU A 29 -4.068 -0.332 -5.206 1.00 0.00 C ATOM 484 CD GLU A 29 -3.976 0.412 -6.529 1.00 0.00 C ATOM 485 OE1 GLU A 29 -4.863 0.223 -7.387 1.00 0.00 O ATOM 486 OE2 GLU A 29 -3.015 1.191 -6.699 1.00 0.00 O ATOM 0 H GLU A 29 -4.105 -4.200 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.556 -1.928 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.517 -2.351 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.134 -1.916 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.823 0.145 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.117 -0.244 -4.681 1.00 0.00 H new ATOM 493 N HIS A 30 -7.221 -3.090 -4.812 1.00 0.00 N ATOM 494 CA HIS A 30 -8.682 -3.026 -4.858 1.00 0.00 C ATOM 495 C HIS A 30 -9.290 -3.205 -3.462 1.00 0.00 C ATOM 496 O HIS A 30 -10.271 -2.543 -3.120 1.00 0.00 O ATOM 497 CB HIS A 30 -9.237 -4.091 -5.810 1.00 0.00 C ATOM 498 CG HIS A 30 -10.711 -3.968 -6.067 1.00 0.00 C ATOM 499 ND1 HIS A 30 -11.400 -2.775 -5.976 1.00 0.00 N ATOM 500 CD2 HIS A 30 -11.628 -4.902 -6.414 1.00 0.00 C ATOM 501 CE1 HIS A 30 -12.674 -2.981 -6.253 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.838 -4.262 -6.523 1.00 0.00 N ATOM 0 H HIS A 30 -6.814 -3.817 -5.401 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.959 -2.039 -5.228 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.706 -4.028 -6.760 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.031 -5.078 -5.395 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.442 -5.954 -6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.450 -2.229 -6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.722 -4.706 -6.773 1.00 0.00 H new ATOM 511 N LYS A 31 -8.708 -4.100 -2.663 1.00 0.00 N ATOM 512 CA LYS A 31 -9.203 -4.351 -1.311 1.00 0.00 C ATOM 513 C LYS A 31 -8.930 -3.157 -0.394 1.00 0.00 C ATOM 514 O LYS A 31 -9.831 -2.681 0.295 1.00 0.00 O ATOM 515 CB LYS A 31 -8.569 -5.620 -0.728 1.00 0.00 C ATOM 516 CG LYS A 31 -9.525 -6.440 0.125 1.00 0.00 C ATOM 517 CD LYS A 31 -8.788 -7.221 1.202 1.00 0.00 C ATOM 518 CE LYS A 31 -9.276 -8.663 1.289 1.00 0.00 C ATOM 519 NZ LYS A 31 -10.518 -8.793 2.109 1.00 0.00 N ATOM 0 H LYS A 31 -7.898 -4.660 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.282 -4.496 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.200 -6.240 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.705 -5.341 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.256 -5.779 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.079 -7.131 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.719 -7.211 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.927 -6.731 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.465 -9.041 0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.491 -9.284 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.811 -9.790 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.332 -8.457 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.276 -8.222 1.684 1.00 0.00 H new ATOM 533 N VAL A 32 -7.685 -2.678 -0.390 1.00 0.00 N ATOM 534 CA VAL A 32 -7.301 -1.539 0.449 1.00 0.00 C ATOM 535 C VAL A 32 -7.976 -0.242 -0.011 1.00 0.00 C ATOM 536 O VAL A 32 -8.453 0.540 0.815 1.00 0.00 O ATOM 537 CB VAL A 32 -5.769 -1.329 0.476 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.389 -0.267 1.501 1.00 0.00 C ATOM 539 CG2 VAL A 32 -5.048 -2.640 0.766 1.00 0.00 C ATOM 0 H VAL A 32 -6.927 -3.059 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.641 -1.780 1.456 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.457 -0.981 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.307 -0.135 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.869 0.677 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.719 -0.582 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.972 -2.468 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.367 -3.024 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.289 -3.367 -0.009 1.00 0.00 H new ATOM 549 N THR A 33 -8.003 -0.018 -1.328 1.00 0.00 N ATOM 550 CA THR A 33 -8.609 1.187 -1.895 1.00 0.00 C ATOM 551 C THR A 33 -10.093 1.295 -1.530 1.00 0.00 C ATOM 552 O THR A 33 -10.582 2.387 -1.252 1.00 0.00 O ATOM 553 CB THR A 33 -8.418 1.239 -3.420 1.00 0.00 C ATOM 554 OG1 THR A 33 -8.666 2.544 -3.910 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.311 0.287 -4.190 1.00 0.00 C ATOM 0 H THR A 33 -7.612 -0.656 -2.021 1.00 0.00 H new ATOM 0 HA THR A 33 -8.096 2.044 -1.459 1.00 0.00 H new ATOM 0 HB THR A 33 -7.383 0.937 -3.580 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.696 2.526 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.114 0.386 -5.257 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.107 -0.737 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.356 0.526 -3.990 1.00 0.00 H new ATOM 563 N THR A 34 -10.806 0.165 -1.533 1.00 0.00 N ATOM 564 CA THR A 34 -12.232 0.162 -1.195 1.00 0.00 C ATOM 565 C THR A 34 -12.454 0.395 0.304 1.00 0.00 C ATOM 566 O THR A 34 -13.383 1.107 0.689 1.00 0.00 O ATOM 567 CB THR A 34 -12.899 -1.151 -1.631 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.740 -1.356 -3.024 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.383 -1.202 -1.332 1.00 0.00 C ATOM 0 H THR A 34 -10.423 -0.752 -1.764 1.00 0.00 H new ATOM 0 HA THR A 34 -12.695 0.985 -1.739 1.00 0.00 H new ATOM 0 HB THR A 34 -12.400 -1.930 -1.054 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.920 -1.868 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.789 -2.157 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.542 -1.096 -0.259 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.888 -0.390 -1.855 1.00 0.00 H new ATOM 577 N VAL A 35 -11.609 -0.209 1.146 1.00 0.00 N ATOM 578 CA VAL A 35 -11.740 -0.060 2.599 1.00 0.00 C ATOM 579 C VAL A 35 -11.600 1.404 3.023 1.00 0.00 C ATOM 580 O VAL A 35 -12.481 1.949 3.690 1.00 0.00 O ATOM 581 CB VAL A 35 -10.698 -0.907 3.370 1.00 0.00 C ATOM 582 CG1 VAL A 35 -10.865 -0.732 4.874 1.00 0.00 C ATOM 583 CG2 VAL A 35 -10.805 -2.379 2.990 1.00 0.00 C ATOM 0 H VAL A 35 -10.833 -0.801 0.850 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.738 -0.420 2.851 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.706 -0.553 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.123 -1.336 5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.728 0.317 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.865 -1.052 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.063 -2.953 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.802 -2.746 3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.626 -2.493 1.921 1.00 0.00 H new ATOM 593 N PHE A 36 -10.483 2.028 2.646 1.00 0.00 N ATOM 594 CA PHE A 36 -10.224 3.425 3.000 1.00 0.00 C ATOM 595 C PHE A 36 -10.872 4.409 2.018 1.00 0.00 C ATOM 596 O PHE A 36 -11.062 5.580 2.349 1.00 0.00 O ATOM 597 CB PHE A 36 -8.719 3.681 3.070 1.00 0.00 C ATOM 598 CG PHE A 36 -8.022 2.900 4.150 1.00 0.00 C ATOM 599 CD1 PHE A 36 -8.428 3.003 5.471 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.957 2.067 3.844 1.00 0.00 C ATOM 601 CE1 PHE A 36 -7.789 2.287 6.465 1.00 0.00 C ATOM 602 CE2 PHE A 36 -6.314 1.350 4.834 1.00 0.00 C ATOM 603 CZ PHE A 36 -6.728 1.462 6.146 1.00 0.00 C ATOM 0 H PHE A 36 -9.744 1.589 2.096 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.675 3.595 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.272 3.432 2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.548 4.745 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.254 3.651 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.626 1.978 2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.119 2.372 7.490 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.488 0.702 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.223 0.906 6.922 1.00 0.00 H new ATOM 613 N GLY A 37 -11.201 3.939 0.811 1.00 0.00 N ATOM 614 CA GLY A 37 -11.812 4.806 -0.186 1.00 0.00 C ATOM 615 C GLY A 37 -10.787 5.453 -1.105 1.00 0.00 C ATOM 616 O GLY A 37 -9.583 5.251 -0.942 1.00 0.00 O ATOM 0 H GLY A 37 -11.055 2.976 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.516 4.227 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.386 5.584 0.317 1.00 0.00 H new ATOM 620 N GLN A 38 -11.266 6.236 -2.073 1.00 0.00 N ATOM 621 CA GLN A 38 -10.386 6.918 -3.022 1.00 0.00 C ATOM 622 C GLN A 38 -10.677 8.420 -3.052 1.00 0.00 C ATOM 623 O GLN A 38 -11.751 8.859 -2.637 1.00 0.00 O ATOM 624 CB GLN A 38 -10.549 6.324 -4.425 1.00 0.00 C ATOM 625 CG GLN A 38 -9.423 5.382 -4.821 1.00 0.00 C ATOM 626 CD GLN A 38 -8.944 5.607 -6.242 1.00 0.00 C ATOM 627 OE1 GLN A 38 -8.151 6.509 -6.507 1.00 0.00 O ATOM 628 NE2 GLN A 38 -9.425 4.782 -7.169 1.00 0.00 N ATOM 0 H GLN A 38 -12.260 6.413 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.357 6.772 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.496 5.786 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.604 7.136 -5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.586 5.514 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.763 4.352 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.081 4.047 -6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.137 4.885 -8.142 1.00 0.00 H new ATOM 637 N PRO A 39 -9.717 9.234 -3.543 1.00 0.00 N ATOM 638 CA PRO A 39 -8.427 8.753 -4.045 1.00 0.00 C ATOM 639 C PRO A 39 -7.391 8.541 -2.940 1.00 0.00 C ATOM 640 O PRO A 39 -7.363 9.276 -1.950 1.00 0.00 O ATOM 641 CB PRO A 39 -7.994 9.882 -4.977 1.00 0.00 C ATOM 642 CG PRO A 39 -8.563 11.115 -4.359 1.00 0.00 C ATOM 643 CD PRO A 39 -9.829 10.701 -3.646 1.00 0.00 C ATOM 0 HA PRO A 39 -8.512 7.777 -4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.908 9.940 -5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.376 9.732 -5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.854 11.560 -3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.776 11.866 -5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.904 11.166 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.717 10.995 -4.206 1.00 0.00 H new ATOM 651 N LEU A 40 -6.533 7.536 -3.123 1.00 0.00 N ATOM 652 CA LEU A 40 -5.485 7.226 -2.151 1.00 0.00 C ATOM 653 C LEU A 40 -4.164 6.912 -2.854 1.00 0.00 C ATOM 654 O LEU A 40 -4.153 6.351 -3.951 1.00 0.00 O ATOM 655 CB LEU A 40 -5.899 6.036 -1.276 1.00 0.00 C ATOM 656 CG LEU A 40 -6.834 6.372 -0.111 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.117 5.131 0.721 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.242 7.472 0.759 1.00 0.00 C ATOM 0 H LEU A 40 -6.544 6.922 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.345 8.103 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.386 5.294 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.999 5.571 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.775 6.734 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.783 5.389 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.590 4.374 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.181 4.740 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.924 7.693 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.285 7.142 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.093 8.370 0.159 1.00 0.00 H new ATOM 670 N ASP A 41 -3.052 7.280 -2.214 1.00 0.00 N ATOM 671 CA ASP A 41 -1.723 7.039 -2.772 1.00 0.00 C ATOM 672 C ASP A 41 -0.918 6.082 -1.889 1.00 0.00 C ATOM 673 O ASP A 41 -0.886 6.231 -0.665 1.00 0.00 O ATOM 674 CB ASP A 41 -0.966 8.360 -2.932 1.00 0.00 C ATOM 675 CG ASP A 41 0.245 8.227 -3.836 1.00 0.00 C ATOM 676 OD1 ASP A 41 0.060 7.966 -5.043 1.00 0.00 O ATOM 677 OD2 ASP A 41 1.379 8.380 -3.335 1.00 0.00 O ATOM 0 H ASP A 41 -3.048 7.747 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.850 6.577 -3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.639 9.114 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.647 8.714 -1.952 1.00 0.00 H new ATOM 682 N LEU A 42 -0.265 5.103 -2.519 1.00 0.00 N ATOM 683 CA LEU A 42 0.545 4.125 -1.793 1.00 0.00 C ATOM 684 C LEU A 42 1.996 4.593 -1.684 1.00 0.00 C ATOM 685 O LEU A 42 2.695 4.712 -2.692 1.00 0.00 O ATOM 686 CB LEU A 42 0.481 2.758 -2.486 1.00 0.00 C ATOM 687 CG LEU A 42 -0.707 1.879 -2.076 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.520 1.466 -3.296 1.00 0.00 C ATOM 689 CD2 LEU A 42 -0.223 0.653 -1.311 1.00 0.00 C ATOM 0 H LEU A 42 -0.282 4.967 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 42 0.139 4.029 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.442 2.915 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.404 2.217 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.354 2.461 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.357 0.843 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.898 2.356 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.887 0.903 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.078 0.040 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.447 0.071 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.309 0.970 -0.414 1.00 0.00 H new ATOM 701 N HIS A 43 2.440 4.864 -0.455 1.00 0.00 N ATOM 702 CA HIS A 43 3.804 5.330 -0.212 1.00 0.00 C ATOM 703 C HIS A 43 4.604 4.298 0.583 1.00 0.00 C ATOM 704 O HIS A 43 4.339 4.066 1.763 1.00 0.00 O ATOM 705 CB HIS A 43 3.765 6.663 0.542 1.00 0.00 C ATOM 706 CG HIS A 43 4.788 7.654 0.081 1.00 0.00 C ATOM 707 ND1 HIS A 43 5.928 7.950 0.798 1.00 0.00 N ATOM 708 CD2 HIS A 43 4.832 8.425 -1.030 1.00 0.00 C ATOM 709 CE1 HIS A 43 6.628 8.862 0.149 1.00 0.00 C ATOM 710 NE2 HIS A 43 5.986 9.166 -0.963 1.00 0.00 N ATOM 0 H HIS A 43 1.873 4.768 0.387 1.00 0.00 H new ATOM 0 HA HIS A 43 4.299 5.471 -1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.773 7.102 0.432 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.913 6.472 1.605 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.097 8.452 -1.821 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.566 9.287 0.473 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.297 9.842 -1.660 1.00 0.00 H new ATOM 719 N TYR A 44 5.595 3.688 -0.065 1.00 0.00 N ATOM 720 CA TYR A 44 6.434 2.693 0.588 1.00 0.00 C ATOM 721 C TYR A 44 7.686 3.352 1.164 1.00 0.00 C ATOM 722 O TYR A 44 8.457 3.979 0.437 1.00 0.00 O ATOM 723 CB TYR A 44 6.816 1.590 -0.406 1.00 0.00 C ATOM 724 CG TYR A 44 7.901 0.660 0.090 1.00 0.00 C ATOM 725 CD1 TYR A 44 9.240 1.004 -0.026 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.585 -0.560 0.676 1.00 0.00 C ATOM 727 CE1 TYR A 44 10.237 0.162 0.426 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.576 -1.409 1.131 1.00 0.00 C ATOM 729 CZ TYR A 44 9.900 -1.044 1.005 1.00 0.00 C ATOM 730 OH TYR A 44 10.889 -1.886 1.457 1.00 0.00 O ATOM 0 H TYR A 44 5.834 3.867 -1.040 1.00 0.00 H new ATOM 0 HA TYR A 44 5.873 2.243 1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.928 1.003 -0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.146 2.052 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.508 1.948 -0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.549 -0.849 0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.274 0.446 0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.315 -2.354 1.583 1.00 0.00 H new ATOM 0 HH TYR A 44 10.483 -2.692 1.838 1.00 0.00 H new ATOM 740 N MET A 45 7.879 3.209 2.474 1.00 0.00 N ATOM 741 CA MET A 45 9.038 3.790 3.148 1.00 0.00 C ATOM 742 C MET A 45 9.828 2.715 3.896 1.00 0.00 C ATOM 743 O MET A 45 9.254 1.909 4.629 1.00 0.00 O ATOM 744 CB MET A 45 8.597 4.897 4.118 1.00 0.00 C ATOM 745 CG MET A 45 7.602 4.442 5.179 1.00 0.00 C ATOM 746 SD MET A 45 7.544 5.554 6.598 1.00 0.00 S ATOM 747 CE MET A 45 7.132 4.411 7.915 1.00 0.00 C ATOM 0 H MET A 45 7.248 2.696 3.089 1.00 0.00 H new ATOM 0 HA MET A 45 9.687 4.227 2.389 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.479 5.302 4.614 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.152 5.710 3.545 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.609 4.374 4.735 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.870 3.441 5.517 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.043 4.956 8.855 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.185 3.921 7.689 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.917 3.660 8.004 1.00 0.00 H new ATOM 757 N ASN A 46 11.149 2.713 3.710 1.00 0.00 N ATOM 758 CA ASN A 46 12.013 1.742 4.377 1.00 0.00 C ATOM 759 C ASN A 46 12.632 2.355 5.631 1.00 0.00 C ATOM 760 O ASN A 46 12.608 1.753 6.706 1.00 0.00 O ATOM 761 CB ASN A 46 13.108 1.248 3.426 1.00 0.00 C ATOM 762 CG ASN A 46 13.590 -0.157 3.759 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.123 -0.778 4.715 1.00 0.00 O ATOM 764 ND2 ASN A 46 14.531 -0.668 2.972 1.00 0.00 N ATOM 0 H ASN A 46 11.641 3.371 3.105 1.00 0.00 H new ATOM 0 HA ASN A 46 11.405 0.887 4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.730 1.264 2.404 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.953 1.935 3.464 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.891 -1.605 3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.893 -0.123 2.190 1.00 0.00 H new ATOM 771 N ASN A 47 13.175 3.566 5.483 1.00 0.00 N ATOM 772 CA ASN A 47 13.790 4.288 6.595 1.00 0.00 C ATOM 773 C ASN A 47 13.954 5.763 6.241 1.00 0.00 C ATOM 774 O ASN A 47 13.251 6.621 6.774 1.00 0.00 O ATOM 775 CB ASN A 47 15.152 3.680 6.949 1.00 0.00 C ATOM 776 CG ASN A 47 15.083 2.774 8.165 1.00 0.00 C ATOM 777 OD1 ASN A 47 14.773 3.223 9.268 1.00 0.00 O ATOM 778 ND2 ASN A 47 15.368 1.490 7.968 1.00 0.00 N ATOM 0 H ASN A 47 13.200 4.069 4.596 1.00 0.00 H new ATOM 0 HA ASN A 47 13.135 4.201 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.526 3.112 6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.867 4.481 7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.334 0.834 8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.620 1.161 7.036 1.00 0.00 H new ATOM 785 N GLU A 48 14.887 6.044 5.335 1.00 0.00 N ATOM 786 CA GLU A 48 15.154 7.410 4.895 1.00 0.00 C ATOM 787 C GLU A 48 14.693 7.634 3.448 1.00 0.00 C ATOM 788 O GLU A 48 14.393 8.765 3.057 1.00 0.00 O ATOM 789 CB GLU A 48 16.651 7.708 5.031 1.00 0.00 C ATOM 790 CG GLU A 48 17.049 9.106 4.585 1.00 0.00 C ATOM 791 CD GLU A 48 16.741 10.156 5.633 1.00 0.00 C ATOM 792 OE1 GLU A 48 15.551 10.504 5.795 1.00 0.00 O ATOM 793 OE2 GLU A 48 17.687 10.628 6.296 1.00 0.00 O ATOM 0 H GLU A 48 15.474 5.339 4.889 1.00 0.00 H new ATOM 0 HA GLU A 48 14.588 8.093 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.944 7.573 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.210 6.978 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.115 9.123 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.525 9.353 3.662 1.00 0.00 H new ATOM 800 N LEU A 49 14.639 6.557 2.655 1.00 0.00 N ATOM 801 CA LEU A 49 14.223 6.652 1.258 1.00 0.00 C ATOM 802 C LEU A 49 12.793 6.146 1.070 1.00 0.00 C ATOM 803 O LEU A 49 12.392 5.148 1.675 1.00 0.00 O ATOM 804 CB LEU A 49 15.175 5.849 0.363 1.00 0.00 C ATOM 805 CG LEU A 49 15.667 6.573 -0.894 1.00 0.00 C ATOM 806 CD1 LEU A 49 16.712 5.732 -1.609 1.00 0.00 C ATOM 807 CD2 LEU A 49 14.503 6.887 -1.825 1.00 0.00 C ATOM 0 H LEU A 49 14.878 5.613 2.960 1.00 0.00 H new ATOM 0 HA LEU A 49 14.257 7.703 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.042 5.556 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.672 4.931 0.059 1.00 0.00 H new ATOM 0 HG LEU A 49 16.125 7.516 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 49 17.054 6.257 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.558 5.559 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.275 4.776 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.875 7.401 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.014 5.959 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.786 7.526 -1.309 1.00 0.00 H new ATOM 819 N SER A 50 12.037 6.835 0.218 1.00 0.00 N ATOM 820 CA SER A 50 10.656 6.458 -0.070 1.00 0.00 C ATOM 821 C SER A 50 10.519 5.970 -1.510 1.00 0.00 C ATOM 822 O SER A 50 11.006 6.613 -2.442 1.00 0.00 O ATOM 823 CB SER A 50 9.714 7.641 0.173 1.00 0.00 C ATOM 824 OG SER A 50 9.653 7.973 1.549 1.00 0.00 O ATOM 0 H SER A 50 12.360 7.661 -0.287 1.00 0.00 H new ATOM 0 HA SER A 50 10.380 5.645 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.056 8.505 -0.397 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.716 7.395 -0.189 1.00 0.00 H new ATOM 0 HG SER A 50 9.046 8.732 1.676 1.00 0.00 H new ATOM 830 N ILE A 51 9.851 4.829 -1.684 1.00 0.00 N ATOM 831 CA ILE A 51 9.646 4.250 -3.008 1.00 0.00 C ATOM 832 C ILE A 51 8.160 4.251 -3.377 1.00 0.00 C ATOM 833 O ILE A 51 7.313 3.869 -2.567 1.00 0.00 O ATOM 834 CB ILE A 51 10.184 2.801 -3.084 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.616 2.720 -2.535 1.00 0.00 C ATOM 836 CG2 ILE A 51 10.133 2.279 -4.514 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.621 3.549 -3.312 1.00 0.00 C ATOM 0 H ILE A 51 9.443 4.288 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 51 10.199 4.868 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 51 9.543 2.172 -2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.615 3.049 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.938 1.679 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.516 1.259 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.102 2.290 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.744 2.914 -5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.608 3.439 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.653 3.207 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.325 4.598 -3.286 1.00 0.00 H new ATOM 849 N LEU A 52 7.852 4.679 -4.601 1.00 0.00 N ATOM 850 CA LEU A 52 6.469 4.724 -5.072 1.00 0.00 C ATOM 851 C LEU A 52 6.090 3.420 -5.771 1.00 0.00 C ATOM 852 O LEU A 52 6.714 3.034 -6.763 1.00 0.00 O ATOM 853 CB LEU A 52 6.264 5.905 -6.027 1.00 0.00 C ATOM 854 CG LEU A 52 5.130 6.865 -5.649 1.00 0.00 C ATOM 855 CD1 LEU A 52 3.775 6.191 -5.817 1.00 0.00 C ATOM 856 CD2 LEU A 52 5.306 7.369 -4.222 1.00 0.00 C ATOM 0 H LEU A 52 8.540 4.999 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 52 5.823 4.854 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.194 6.471 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.069 5.514 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 52 5.170 7.722 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.985 6.890 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.646 5.886 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.723 5.314 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.491 8.049 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.296 6.524 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.257 7.895 -4.137 1.00 0.00 H new ATOM 868 N LEU A 53 5.066 2.748 -5.248 1.00 0.00 N ATOM 869 CA LEU A 53 4.597 1.489 -5.821 1.00 0.00 C ATOM 870 C LEU A 53 3.297 1.702 -6.592 1.00 0.00 C ATOM 871 O LEU A 53 2.325 2.232 -6.049 1.00 0.00 O ATOM 872 CB LEU A 53 4.387 0.445 -4.717 1.00 0.00 C ATOM 873 CG LEU A 53 5.595 0.197 -3.805 1.00 0.00 C ATOM 874 CD1 LEU A 53 5.202 -0.661 -2.612 1.00 0.00 C ATOM 875 CD2 LEU A 53 6.726 -0.456 -4.586 1.00 0.00 C ATOM 0 H LEU A 53 4.545 3.056 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 53 5.357 1.124 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.546 0.759 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.105 -0.499 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 53 5.945 1.159 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.074 -0.824 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.427 -0.153 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.824 -1.621 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.575 -0.625 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.386 -1.409 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.028 0.198 -5.404 1.00 0.00 H new ATOM 887 N LYS A 54 3.286 1.293 -7.861 1.00 0.00 N ATOM 888 CA LYS A 54 2.106 1.441 -8.711 1.00 0.00 C ATOM 889 C LYS A 54 1.742 0.117 -9.375 1.00 0.00 C ATOM 890 O LYS A 54 0.615 -0.363 -9.246 1.00 0.00 O ATOM 891 CB LYS A 54 2.354 2.511 -9.777 1.00 0.00 C ATOM 892 CG LYS A 54 1.222 2.642 -10.787 1.00 0.00 C ATOM 893 CD LYS A 54 1.589 3.584 -11.924 1.00 0.00 C ATOM 894 CE LYS A 54 0.767 4.865 -11.879 1.00 0.00 C ATOM 895 NZ LYS A 54 1.327 5.856 -10.915 1.00 0.00 N ATOM 0 H LYS A 54 4.083 0.856 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 54 1.271 1.750 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.504 3.473 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.277 2.276 -10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.980 1.659 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.327 3.009 -10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.649 3.829 -11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.430 3.082 -12.879 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.732 5.308 -12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.259 4.627 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.737 6.713 -10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.337 5.444 -9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.297 6.103 -11.196 1.00 0.00 H new ATOM 909 N ASN A 55 2.703 -0.460 -10.088 1.00 0.00 N ATOM 910 CA ASN A 55 2.499 -1.728 -10.783 1.00 0.00 C ATOM 911 C ASN A 55 3.183 -2.870 -10.038 1.00 0.00 C ATOM 912 O ASN A 55 3.894 -2.645 -9.055 1.00 0.00 O ATOM 913 CB ASN A 55 3.039 -1.643 -12.218 1.00 0.00 C ATOM 914 CG ASN A 55 1.993 -1.168 -13.213 1.00 0.00 C ATOM 915 OD1 ASN A 55 0.794 -1.176 -12.928 1.00 0.00 O ATOM 916 ND2 ASN A 55 2.443 -0.751 -14.393 1.00 0.00 N ATOM 0 H ASN A 55 3.638 -0.067 -10.201 1.00 0.00 H new ATOM 0 HA ASN A 55 1.428 -1.928 -10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.891 -0.964 -12.241 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.405 -2.624 -12.522 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.787 -0.422 -15.102 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.444 -0.760 -14.589 1.00 0.00 H new ATOM 923 N GLN A 56 2.972 -4.098 -10.518 1.00 0.00 N ATOM 924 CA GLN A 56 3.577 -5.275 -9.903 1.00 0.00 C ATOM 925 C GLN A 56 5.104 -5.168 -9.902 1.00 0.00 C ATOM 926 O GLN A 56 5.757 -5.644 -8.974 1.00 0.00 O ATOM 927 CB GLN A 56 3.140 -6.547 -10.635 1.00 0.00 C ATOM 928 CG GLN A 56 3.204 -7.797 -9.772 1.00 0.00 C ATOM 929 CD GLN A 56 1.913 -8.071 -9.020 1.00 0.00 C ATOM 930 OE1 GLN A 56 0.841 -7.595 -9.397 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.010 -8.844 -7.943 1.00 0.00 N ATOM 0 H GLN A 56 2.387 -4.300 -11.329 1.00 0.00 H new ATOM 0 HA GLN A 56 3.235 -5.328 -8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.120 -6.416 -10.996 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.773 -6.688 -11.511 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.439 -8.655 -10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.020 -7.695 -9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.917 -9.219 -7.664 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.178 -9.063 -7.395 1.00 0.00 H new ATOM 940 N ASP A 57 5.665 -4.543 -10.943 1.00 0.00 N ATOM 941 CA ASP A 57 7.115 -4.375 -11.056 1.00 0.00 C ATOM 942 C ASP A 57 7.700 -3.732 -9.795 1.00 0.00 C ATOM 943 O ASP A 57 8.686 -4.221 -9.242 1.00 0.00 O ATOM 944 CB ASP A 57 7.462 -3.522 -12.283 1.00 0.00 C ATOM 945 CG ASP A 57 7.677 -4.354 -13.533 1.00 0.00 C ATOM 946 OD1 ASP A 57 6.717 -5.014 -13.980 1.00 0.00 O ATOM 947 OD2 ASP A 57 8.806 -4.341 -14.068 1.00 0.00 O ATOM 0 H ASP A 57 5.135 -4.146 -11.719 1.00 0.00 H new ATOM 0 HA ASP A 57 7.555 -5.366 -11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.659 -2.806 -12.462 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.363 -2.945 -12.076 1.00 0.00 H new ATOM 952 N ASP A 58 7.081 -2.638 -9.344 1.00 0.00 N ATOM 953 CA ASP A 58 7.539 -1.933 -8.144 1.00 0.00 C ATOM 954 C ASP A 58 7.418 -2.833 -6.913 1.00 0.00 C ATOM 955 O ASP A 58 8.351 -2.937 -6.114 1.00 0.00 O ATOM 956 CB ASP A 58 6.731 -0.645 -7.923 1.00 0.00 C ATOM 957 CG ASP A 58 6.606 0.204 -9.177 1.00 0.00 C ATOM 958 OD1 ASP A 58 7.635 0.736 -9.642 1.00 0.00 O ATOM 959 OD2 ASP A 58 5.474 0.338 -9.691 1.00 0.00 O ATOM 0 H ASP A 58 6.264 -2.222 -9.790 1.00 0.00 H new ATOM 0 HA ASP A 58 8.586 -1.669 -8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.734 -0.905 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.206 -0.056 -7.139 1.00 0.00 H new ATOM 964 N LEU A 59 6.260 -3.478 -6.772 1.00 0.00 N ATOM 965 CA LEU A 59 6.005 -4.373 -5.644 1.00 0.00 C ATOM 966 C LEU A 59 6.954 -5.574 -5.657 1.00 0.00 C ATOM 967 O LEU A 59 7.442 -5.992 -4.607 1.00 0.00 O ATOM 968 CB LEU A 59 4.547 -4.846 -5.668 1.00 0.00 C ATOM 969 CG LEU A 59 4.142 -5.781 -4.526 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.950 -5.000 -3.232 1.00 0.00 C ATOM 971 CD2 LEU A 59 2.877 -6.543 -4.892 1.00 0.00 C ATOM 0 H LEU A 59 5.482 -3.397 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 59 6.186 -3.817 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.898 -3.970 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.363 -5.355 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 59 4.944 -6.502 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.662 -5.684 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.883 -4.503 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.167 -4.254 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.600 -7.204 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.068 -5.837 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.056 -7.135 -5.790 1.00 0.00 H new ATOM 983 N ASP A 60 7.212 -6.120 -6.849 1.00 0.00 N ATOM 984 CA ASP A 60 8.106 -7.270 -6.995 1.00 0.00 C ATOM 985 C ASP A 60 9.516 -6.925 -6.520 1.00 0.00 C ATOM 986 O ASP A 60 10.150 -7.713 -5.817 1.00 0.00 O ATOM 987 CB ASP A 60 8.146 -7.742 -8.453 1.00 0.00 C ATOM 988 CG ASP A 60 7.060 -8.755 -8.770 1.00 0.00 C ATOM 989 OD1 ASP A 60 7.008 -9.804 -8.095 1.00 0.00 O ATOM 990 OD2 ASP A 60 6.262 -8.499 -9.696 1.00 0.00 O ATOM 0 H ASP A 60 6.814 -5.784 -7.726 1.00 0.00 H new ATOM 0 HA ASP A 60 7.717 -8.078 -6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.038 -6.881 -9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.121 -8.183 -8.661 1.00 0.00 H new ATOM 995 N LYS A 61 9.996 -5.739 -6.896 1.00 0.00 N ATOM 996 CA LYS A 61 11.326 -5.289 -6.492 1.00 0.00 C ATOM 997 C LYS A 61 11.403 -5.114 -4.973 1.00 0.00 C ATOM 998 O LYS A 61 12.440 -5.376 -4.364 1.00 0.00 O ATOM 999 CB LYS A 61 11.685 -3.977 -7.193 1.00 0.00 C ATOM 1000 CG LYS A 61 12.761 -4.131 -8.257 1.00 0.00 C ATOM 1001 CD LYS A 61 12.435 -3.327 -9.506 1.00 0.00 C ATOM 1002 CE LYS A 61 13.681 -2.682 -10.093 1.00 0.00 C ATOM 1003 NZ LYS A 61 13.974 -3.179 -11.467 1.00 0.00 N ATOM 0 H LYS A 61 9.485 -5.075 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 61 12.045 -6.052 -6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.788 -3.563 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.023 -3.257 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.720 -3.805 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.866 -5.184 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.976 -3.978 -10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.704 -2.556 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.551 -1.600 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.534 -2.885 -9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.831 -2.714 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.124 -4.208 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.172 -2.963 -12.093 1.00 0.00 H new ATOM 1017 N ALA A 62 10.292 -4.678 -4.366 1.00 0.00 N ATOM 1018 CA ALA A 62 10.231 -4.479 -2.918 1.00 0.00 C ATOM 1019 C ALA A 62 10.434 -5.798 -2.171 1.00 0.00 C ATOM 1020 O ALA A 62 11.042 -5.822 -1.099 1.00 0.00 O ATOM 1021 CB ALA A 62 8.907 -3.845 -2.518 1.00 0.00 C ATOM 0 H ALA A 62 9.426 -4.457 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 62 11.040 -3.803 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.882 -3.706 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.803 -2.878 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.086 -4.496 -2.819 1.00 0.00 H new ATOM 1027 N ILE A 63 9.926 -6.892 -2.746 1.00 0.00 N ATOM 1028 CA ILE A 63 10.063 -8.215 -2.133 1.00 0.00 C ATOM 1029 C ILE A 63 11.535 -8.576 -1.967 1.00 0.00 C ATOM 1030 O ILE A 63 11.951 -9.027 -0.901 1.00 0.00 O ATOM 1031 CB ILE A 63 9.362 -9.315 -2.964 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.914 -8.920 -3.276 1.00 0.00 C ATOM 1033 CG2 ILE A 63 9.404 -10.645 -2.222 1.00 0.00 C ATOM 1034 CD1 ILE A 63 7.106 -8.539 -2.051 1.00 0.00 C ATOM 0 H ILE A 63 9.419 -6.887 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 63 9.581 -8.164 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 63 9.895 -9.425 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.918 -8.081 -3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.421 -9.751 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.907 -11.410 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.441 -10.934 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.894 -10.543 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.093 -8.272 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.069 -9.383 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.574 -7.688 -1.557 1.00 0.00 H new ATOM 1046 N ASP A 64 12.321 -8.360 -3.025 1.00 0.00 N ATOM 1047 CA ASP A 64 13.754 -8.650 -2.994 1.00 0.00 C ATOM 1048 C ASP A 64 14.422 -7.965 -1.802 1.00 0.00 C ATOM 1049 O ASP A 64 15.244 -8.568 -1.112 1.00 0.00 O ATOM 1050 CB ASP A 64 14.423 -8.185 -4.292 1.00 0.00 C ATOM 1051 CG ASP A 64 15.786 -8.817 -4.501 1.00 0.00 C ATOM 1052 OD1 ASP A 64 16.763 -8.342 -3.884 1.00 0.00 O ATOM 1053 OD2 ASP A 64 15.876 -9.785 -5.282 1.00 0.00 O ATOM 0 H ASP A 64 11.988 -7.985 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 64 13.875 -9.729 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.779 -8.430 -5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.528 -7.100 -4.275 1.00 0.00 H new ATOM 1058 N ILE A 65 14.056 -6.703 -1.571 1.00 0.00 N ATOM 1059 CA ILE A 65 14.610 -5.923 -0.466 1.00 0.00 C ATOM 1060 C ILE A 65 14.204 -6.511 0.889 1.00 0.00 C ATOM 1061 O ILE A 65 15.028 -6.613 1.798 1.00 0.00 O ATOM 1062 CB ILE A 65 14.168 -4.441 -0.535 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.408 -3.875 -1.941 1.00 0.00 C ATOM 1064 CG2 ILE A 65 14.910 -3.611 0.505 1.00 0.00 C ATOM 1065 CD1 ILE A 65 13.966 -2.435 -2.102 1.00 0.00 C ATOM 0 H ILE A 65 13.375 -6.198 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 65 15.695 -5.969 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 65 13.101 -4.391 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.470 -3.948 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.878 -4.492 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.586 -2.572 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.694 -3.998 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.982 -3.668 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.167 -2.104 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.898 -2.357 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.515 -1.806 -1.401 1.00 0.00 H new ATOM 1077 N LEU A 66 12.935 -6.901 1.018 1.00 0.00 N ATOM 1078 CA LEU A 66 12.435 -7.484 2.265 1.00 0.00 C ATOM 1079 C LEU A 66 13.041 -8.871 2.496 1.00 0.00 C ATOM 1080 O LEU A 66 13.523 -9.176 3.586 1.00 0.00 O ATOM 1081 CB LEU A 66 10.908 -7.593 2.211 1.00 0.00 C ATOM 1082 CG LEU A 66 10.186 -7.610 3.563 1.00 0.00 C ATOM 1083 CD1 LEU A 66 10.944 -8.436 4.592 1.00 0.00 C ATOM 1084 CD2 LEU A 66 9.967 -6.192 4.071 1.00 0.00 C ATOM 0 H LEU A 66 12.237 -6.825 0.278 1.00 0.00 H new ATOM 0 HA LEU A 66 12.726 -6.835 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.525 -6.756 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.648 -8.504 1.671 1.00 0.00 H new ATOM 0 HG LEU A 66 9.215 -8.081 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.402 -8.425 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.036 -9.463 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.938 -8.012 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.453 -6.225 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.930 -5.696 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.361 -5.638 3.354 1.00 0.00 H new ATOM 1096 N ASP A 67 13.007 -9.704 1.459 1.00 0.00 N ATOM 1097 CA ASP A 67 13.545 -11.066 1.536 1.00 0.00 C ATOM 1098 C ASP A 67 15.022 -11.067 1.947 1.00 0.00 C ATOM 1099 O ASP A 67 15.448 -11.910 2.736 1.00 0.00 O ATOM 1100 CB ASP A 67 13.376 -11.788 0.191 1.00 0.00 C ATOM 1101 CG ASP A 67 11.978 -12.354 -0.008 1.00 0.00 C ATOM 1102 OD1 ASP A 67 10.996 -11.668 0.352 1.00 0.00 O ATOM 1103 OD2 ASP A 67 11.865 -13.483 -0.529 1.00 0.00 O ATOM 0 H ASP A 67 12.612 -9.461 0.551 1.00 0.00 H new ATOM 0 HA ASP A 67 12.980 -11.598 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.599 -11.093 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.103 -12.598 0.126 1.00 0.00 H new ATOM 1108 N ARG A 68 15.799 -10.119 1.411 1.00 0.00 N ATOM 1109 CA ARG A 68 17.225 -10.024 1.734 1.00 0.00 C ATOM 1110 C ARG A 68 17.446 -9.583 3.184 1.00 0.00 C ATOM 1111 O ARG A 68 18.448 -9.947 3.799 1.00 0.00 O ATOM 1112 CB ARG A 68 17.939 -9.062 0.777 1.00 0.00 C ATOM 1113 CG ARG A 68 17.491 -7.615 0.900 1.00 0.00 C ATOM 1114 CD ARG A 68 18.564 -6.653 0.416 1.00 0.00 C ATOM 1115 NE ARG A 68 18.184 -5.255 0.616 1.00 0.00 N ATOM 1116 CZ ARG A 68 18.223 -4.626 1.796 1.00 0.00 C ATOM 1117 NH1 ARG A 68 18.626 -5.271 2.892 1.00 0.00 N ATOM 1118 NH2 ARG A 68 17.861 -3.349 1.879 1.00 0.00 N ATOM 0 H ARG A 68 15.466 -9.412 0.756 1.00 0.00 H new ATOM 0 HA ARG A 68 17.651 -11.020 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.012 -9.115 0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.773 -9.396 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.580 -7.465 0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.248 -7.396 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.495 -6.854 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.755 -6.828 -0.643 1.00 0.00 H new ATOM 0 HE ARG A 68 17.869 -4.725 -0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.907 -6.250 2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.653 -4.785 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.554 -2.851 1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.890 -2.868 2.778 1.00 0.00 H new ATOM 1132 N SER A 69 16.509 -8.797 3.728 1.00 0.00 N ATOM 1133 CA SER A 69 16.619 -8.318 5.102 1.00 0.00 C ATOM 1134 C SER A 69 16.274 -9.431 6.096 1.00 0.00 C ATOM 1135 O SER A 69 15.147 -9.926 6.120 1.00 0.00 O ATOM 1136 CB SER A 69 15.718 -7.093 5.328 1.00 0.00 C ATOM 1137 OG SER A 69 14.339 -7.440 5.339 1.00 0.00 O ATOM 0 H SER A 69 15.672 -8.483 3.237 1.00 0.00 H new ATOM 0 HA SER A 69 17.653 -8.017 5.272 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.980 -6.620 6.274 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.901 -6.359 4.543 1.00 0.00 H new ATOM 0 HG SER A 69 14.161 -8.097 4.634 1.00 0.00 H new ATOM 1143 N SER A 70 17.258 -9.818 6.909 1.00 0.00 N ATOM 1144 CA SER A 70 17.067 -10.872 7.907 1.00 0.00 C ATOM 1145 C SER A 70 16.241 -10.370 9.092 1.00 0.00 C ATOM 1146 O SER A 70 15.286 -11.026 9.512 1.00 0.00 O ATOM 1147 CB SER A 70 18.425 -11.393 8.397 1.00 0.00 C ATOM 1148 OG SER A 70 19.241 -10.338 8.876 1.00 0.00 O ATOM 0 H SER A 70 18.196 -9.417 6.896 1.00 0.00 H new ATOM 0 HA SER A 70 16.521 -11.687 7.433 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.271 -12.125 9.190 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.934 -11.908 7.582 1.00 0.00 H new ATOM 0 HG SER A 70 20.098 -10.701 9.183 1.00 0.00 H new ATOM 1154 N SER A 71 16.621 -9.209 9.634 1.00 0.00 N ATOM 1155 CA SER A 71 15.920 -8.620 10.780 1.00 0.00 C ATOM 1156 C SER A 71 14.480 -8.248 10.419 1.00 0.00 C ATOM 1157 O SER A 71 13.549 -8.576 11.153 1.00 0.00 O ATOM 1158 CB SER A 71 16.663 -7.380 11.297 1.00 0.00 C ATOM 1159 OG SER A 71 18.036 -7.410 10.938 1.00 0.00 O ATOM 0 H SER A 71 17.411 -8.658 9.298 1.00 0.00 H new ATOM 0 HA SER A 71 15.896 -9.372 11.568 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.199 -6.481 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.570 -7.325 12.382 1.00 0.00 H new ATOM 0 HG SER A 71 18.481 -6.607 11.280 1.00 0.00 H new ATOM 1165 N MET A 72 14.310 -7.564 9.287 1.00 0.00 N ATOM 1166 CA MET A 72 12.983 -7.150 8.831 1.00 0.00 C ATOM 1167 C MET A 72 12.168 -8.352 8.352 1.00 0.00 C ATOM 1168 O MET A 72 12.717 -9.299 7.786 1.00 0.00 O ATOM 1169 CB MET A 72 13.105 -6.123 7.703 1.00 0.00 C ATOM 1170 CG MET A 72 12.499 -4.772 8.039 1.00 0.00 C ATOM 1171 SD MET A 72 10.706 -4.841 8.214 1.00 0.00 S ATOM 1172 CE MET A 72 10.240 -3.251 7.536 1.00 0.00 C ATOM 0 H MET A 72 15.073 -7.285 8.670 1.00 0.00 H new ATOM 0 HA MET A 72 12.464 -6.695 9.675 1.00 0.00 H new ATOM 0 HB2 MET A 72 14.159 -5.988 7.459 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.619 -6.517 6.811 1.00 0.00 H new ATOM 0 HG2 MET A 72 12.937 -4.402 8.966 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.757 -4.058 7.257 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.195 -3.279 7.228 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.374 -2.479 8.294 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.867 -3.026 6.673 1.00 0.00 H new ATOM 1182 N LYS A 73 10.853 -8.302 8.582 1.00 0.00 N ATOM 1183 CA LYS A 73 9.954 -9.384 8.174 1.00 0.00 C ATOM 1184 C LYS A 73 8.673 -8.828 7.545 1.00 0.00 C ATOM 1185 O LYS A 73 8.292 -9.229 6.443 1.00 0.00 O ATOM 1186 CB LYS A 73 9.606 -10.273 9.373 1.00 0.00 C ATOM 1187 CG LYS A 73 10.589 -11.414 9.587 1.00 0.00 C ATOM 1188 CD LYS A 73 10.206 -12.260 10.793 1.00 0.00 C ATOM 1189 CE LYS A 73 11.236 -13.352 11.069 1.00 0.00 C ATOM 1190 NZ LYS A 73 12.629 -12.818 11.149 1.00 0.00 N ATOM 0 H LYS A 73 10.388 -7.524 9.049 1.00 0.00 H new ATOM 0 HA LYS A 73 10.471 -9.984 7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.572 -9.659 10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.607 -10.686 9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.620 -12.041 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.592 -11.010 9.728 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.111 -11.620 11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.230 -12.715 10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.988 -13.853 12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.183 -14.104 10.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.253 -13.538 11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.965 -12.580 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.640 -11.964 11.743 1.00 0.00 H new ATOM 1204 N SER A 74 8.013 -7.906 8.250 1.00 0.00 N ATOM 1205 CA SER A 74 6.774 -7.296 7.755 1.00 0.00 C ATOM 1206 C SER A 74 7.078 -6.174 6.760 1.00 0.00 C ATOM 1207 O SER A 74 8.218 -5.717 6.657 1.00 0.00 O ATOM 1208 CB SER A 74 5.937 -6.744 8.918 1.00 0.00 C ATOM 1209 OG SER A 74 6.139 -7.487 10.109 1.00 0.00 O ATOM 0 H SER A 74 8.314 -7.565 9.163 1.00 0.00 H new ATOM 0 HA SER A 74 6.203 -8.072 7.245 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.199 -5.700 9.091 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.881 -6.767 8.649 1.00 0.00 H new ATOM 0 HG SER A 74 5.592 -7.107 10.828 1.00 0.00 H new ATOM 1215 N LEU A 75 6.053 -5.735 6.026 1.00 0.00 N ATOM 1216 CA LEU A 75 6.215 -4.667 5.038 1.00 0.00 C ATOM 1217 C LEU A 75 5.716 -3.329 5.584 1.00 0.00 C ATOM 1218 O LEU A 75 4.579 -3.223 6.047 1.00 0.00 O ATOM 1219 CB LEU A 75 5.467 -5.015 3.747 1.00 0.00 C ATOM 1220 CG LEU A 75 6.329 -5.642 2.647 1.00 0.00 C ATOM 1221 CD1 LEU A 75 5.515 -6.630 1.824 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.926 -4.563 1.753 1.00 0.00 C ATOM 0 H LEU A 75 5.104 -6.102 6.097 1.00 0.00 H new ATOM 0 HA LEU A 75 7.279 -4.573 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.657 -5.703 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.008 -4.107 3.355 1.00 0.00 H new ATOM 0 HG LEU A 75 7.147 -6.185 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.146 -7.064 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.141 -7.422 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.675 -6.113 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.535 -5.028 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.123 -3.990 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.548 -3.897 2.352 1.00 0.00 H new ATOM 1234 N ARG A 76 6.576 -2.309 5.523 1.00 0.00 N ATOM 1235 CA ARG A 76 6.223 -0.976 6.009 1.00 0.00 C ATOM 1236 C ARG A 76 5.671 -0.111 4.874 1.00 0.00 C ATOM 1237 O ARG A 76 6.392 0.696 4.280 1.00 0.00 O ATOM 1238 CB ARG A 76 7.441 -0.297 6.646 1.00 0.00 C ATOM 1239 CG ARG A 76 7.710 -0.739 8.077 1.00 0.00 C ATOM 1240 CD ARG A 76 8.203 0.416 8.938 1.00 0.00 C ATOM 1241 NE ARG A 76 9.135 -0.029 9.975 1.00 0.00 N ATOM 1242 CZ ARG A 76 9.927 0.791 10.676 1.00 0.00 C ATOM 1243 NH1 ARG A 76 9.905 2.106 10.464 1.00 0.00 N ATOM 1244 NH2 ARG A 76 10.745 0.291 11.597 1.00 0.00 N ATOM 0 H ARG A 76 7.519 -2.382 5.142 1.00 0.00 H new ATOM 0 HA ARG A 76 5.447 -1.087 6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.322 -0.507 6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.293 0.783 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.798 -1.151 8.508 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.452 -1.537 8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.692 1.156 8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.350 0.909 9.405 1.00 0.00 H new ATOM 0 HE ARG A 76 9.184 -1.028 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.279 2.499 9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.514 2.720 11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.768 -0.714 11.767 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.350 0.913 12.133 1.00 0.00 H new ATOM 1258 N ILE A 77 4.383 -0.289 4.580 1.00 0.00 N ATOM 1259 CA ILE A 77 3.724 0.469 3.521 1.00 0.00 C ATOM 1260 C ILE A 77 2.778 1.511 4.116 1.00 0.00 C ATOM 1261 O ILE A 77 1.777 1.165 4.748 1.00 0.00 O ATOM 1262 CB ILE A 77 2.932 -0.458 2.566 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.799 -1.640 2.116 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.434 0.324 1.356 1.00 0.00 C ATOM 1265 CD1 ILE A 77 3.004 -2.780 1.516 1.00 0.00 C ATOM 0 H ILE A 77 3.776 -0.953 5.062 1.00 0.00 H new ATOM 0 HA ILE A 77 4.504 0.970 2.948 1.00 0.00 H new ATOM 0 HB ILE A 77 2.070 -0.849 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.525 -1.289 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.364 -2.012 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.880 -0.342 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.781 1.131 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.285 0.743 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.682 -3.581 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.296 -3.158 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.460 -2.424 0.641 1.00 0.00 H new ATOM 1277 N LEU A 78 3.104 2.786 3.910 1.00 0.00 N ATOM 1278 CA LEU A 78 2.291 3.886 4.425 1.00 0.00 C ATOM 1279 C LEU A 78 1.431 4.482 3.314 1.00 0.00 C ATOM 1280 O LEU A 78 1.948 5.024 2.339 1.00 0.00 O ATOM 1281 CB LEU A 78 3.196 4.967 5.030 1.00 0.00 C ATOM 1282 CG LEU A 78 2.610 5.710 6.235 1.00 0.00 C ATOM 1283 CD1 LEU A 78 3.703 6.036 7.244 1.00 0.00 C ATOM 1284 CD2 LEU A 78 1.897 6.978 5.787 1.00 0.00 C ATOM 0 H LEU A 78 3.928 3.083 3.388 1.00 0.00 H new ATOM 0 HA LEU A 78 1.632 3.498 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.136 4.504 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.433 5.695 4.255 1.00 0.00 H new ATOM 0 HG LEU A 78 1.880 5.061 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.269 6.564 8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.167 5.112 7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.457 6.666 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.488 7.492 6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.604 7.633 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.088 6.719 5.105 1.00 0.00 H new ATOM 1296 N LEU A 79 0.116 4.385 3.470 1.00 0.00 N ATOM 1297 CA LEU A 79 -0.811 4.919 2.476 1.00 0.00 C ATOM 1298 C LEU A 79 -1.447 6.216 2.967 1.00 0.00 C ATOM 1299 O LEU A 79 -1.862 6.315 4.121 1.00 0.00 O ATOM 1300 CB LEU A 79 -1.897 3.892 2.131 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.427 3.059 3.305 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -3.924 2.836 3.170 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -1.692 1.726 3.388 1.00 0.00 C ATOM 0 H LEU A 79 -0.333 3.943 4.272 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.241 5.134 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.736 4.418 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.500 3.212 1.377 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.245 3.610 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.281 2.243 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.436 3.798 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.131 2.306 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.081 1.148 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.842 1.170 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.627 1.906 3.534 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.517 7.204 2.080 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.102 8.501 2.415 1.00 0.00 C ATOM 1317 C LEU A 80 -2.939 9.035 1.255 1.00 0.00 C ATOM 1318 O LEU A 80 -2.708 8.684 0.097 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.005 9.509 2.782 1.00 0.00 C ATOM 1320 CG LEU A 80 0.233 9.497 1.878 1.00 0.00 C ATOM 1321 CD1 LEU A 80 0.487 10.881 1.295 1.00 0.00 C ATOM 1322 CD2 LEU A 80 1.450 9.008 2.650 1.00 0.00 C ATOM 0 H LEU A 80 -1.176 7.132 1.122 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.754 8.364 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.436 10.510 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.687 9.316 3.807 1.00 0.00 H new ATOM 0 HG LEU A 80 0.049 8.809 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.370 10.850 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.376 11.192 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.649 11.593 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.320 9.006 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.635 9.671 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.268 7.997 3.015 1.00 0.00 H new ATOM 1334 N SER A 81 -3.910 9.887 1.574 1.00 0.00 N ATOM 1335 CA SER A 81 -4.783 10.471 0.556 1.00 0.00 C ATOM 1336 C SER A 81 -4.026 11.480 -0.303 1.00 0.00 C ATOM 1337 O SER A 81 -3.174 12.219 0.194 1.00 0.00 O ATOM 1338 CB SER A 81 -5.987 11.149 1.217 1.00 0.00 C ATOM 1339 OG SER A 81 -6.758 10.216 1.956 1.00 0.00 O ATOM 0 H SER A 81 -4.113 10.189 2.527 1.00 0.00 H new ATOM 0 HA SER A 81 -5.134 9.666 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.642 11.945 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.609 11.616 0.454 1.00 0.00 H new ATOM 0 HG SER A 81 -7.519 10.675 2.369 1.00 0.00 H new ATOM 1345 N GLN A 82 -4.344 11.510 -1.597 1.00 0.00 N ATOM 1346 CA GLN A 82 -3.695 12.435 -2.525 1.00 0.00 C ATOM 1347 C GLN A 82 -4.376 13.805 -2.552 1.00 0.00 C ATOM 1348 O GLN A 82 -4.012 14.673 -3.348 1.00 0.00 O ATOM 1349 CB GLN A 82 -3.634 11.838 -3.936 1.00 0.00 C ATOM 1350 CG GLN A 82 -2.227 11.449 -4.370 1.00 0.00 C ATOM 1351 CD GLN A 82 -1.445 12.619 -4.939 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -1.334 12.769 -6.156 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -0.896 13.453 -4.063 1.00 0.00 N ATOM 0 H GLN A 82 -5.045 10.906 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.678 12.587 -2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.275 10.957 -3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.038 12.560 -4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.688 11.038 -3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.287 10.659 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.013 13.291 -3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.358 14.255 -4.391 1.00 0.00 H new ATOM 1362 N ASP A 83 -5.355 13.996 -1.673 1.00 0.00 N ATOM 1363 CA ASP A 83 -6.081 15.261 -1.586 1.00 0.00 C ATOM 1364 C ASP A 83 -5.329 16.264 -0.706 1.00 0.00 C ATOM 1365 O ASP A 83 -5.869 16.780 0.276 1.00 0.00 O ATOM 1366 CB ASP A 83 -7.491 15.023 -1.036 1.00 0.00 C ATOM 1367 CG ASP A 83 -8.500 14.757 -2.135 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -8.665 13.579 -2.513 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -9.126 15.723 -2.618 1.00 0.00 O ATOM 0 H ASP A 83 -5.666 13.288 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.158 15.681 -2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.473 14.176 -0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.806 15.893 -0.460 1.00 0.00 H new ATOM 1374 N ARG A 84 -4.078 16.545 -1.073 1.00 0.00 N ATOM 1375 CA ARG A 84 -3.250 17.494 -0.333 1.00 0.00 C ATOM 1376 C ARG A 84 -3.192 18.834 -1.062 1.00 0.00 C ATOM 1377 O ARG A 84 -3.260 19.895 -0.437 1.00 0.00 O ATOM 1378 CB ARG A 84 -1.837 16.928 -0.134 1.00 0.00 C ATOM 1379 CG ARG A 84 -0.912 17.839 0.663 1.00 0.00 C ATOM 1380 CD ARG A 84 -0.093 17.056 1.686 1.00 0.00 C ATOM 1381 NE ARG A 84 1.275 17.568 1.813 1.00 0.00 N ATOM 1382 CZ ARG A 84 2.156 17.141 2.726 1.00 0.00 C ATOM 1383 NH1 ARG A 84 1.824 16.192 3.600 1.00 0.00 N ATOM 1384 NH2 ARG A 84 3.378 17.662 2.764 1.00 0.00 N ATOM 0 H ARG A 84 -3.616 16.127 -1.881 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.699 17.655 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.910 15.967 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.391 16.739 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.240 18.361 -0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.502 18.599 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.587 17.102 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.060 16.006 1.395 1.00 0.00 H new ATOM 0 HE ARG A 84 1.575 18.296 1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.890 15.783 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.504 15.875 4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.644 18.387 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.050 17.337 3.460 1.00 0.00 H new ATOM 1398 N ASN A 85 -3.076 18.778 -2.391 1.00 0.00 N ATOM 1399 CA ASN A 85 -3.021 19.985 -3.211 1.00 0.00 C ATOM 1400 C ASN A 85 -3.256 19.654 -4.686 1.00 0.00 C ATOM 1401 O ASN A 85 -4.278 20.034 -5.257 1.00 0.00 O ATOM 1402 CB ASN A 85 -1.673 20.692 -3.036 1.00 0.00 C ATOM 1403 CG ASN A 85 -1.660 22.079 -3.652 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -1.976 23.067 -2.990 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -1.301 22.162 -4.929 1.00 0.00 N ATOM 0 H ASN A 85 -3.019 17.908 -2.920 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.814 20.655 -2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.441 20.768 -1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.888 20.088 -3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.280 23.069 -5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -1.046 21.319 -5.443 1.00 0.00 H new ATOM 1412 N LEU A 86 -2.295 18.945 -5.290 1.00 0.00 N ATOM 1413 CA LEU A 86 -2.368 18.548 -6.702 1.00 0.00 C ATOM 1414 C LEU A 86 -2.435 19.760 -7.635 1.00 0.00 C ATOM 1415 O LEU A 86 -2.579 20.900 -7.189 1.00 0.00 O ATOM 1416 CB LEU A 86 -3.567 17.626 -6.949 1.00 0.00 C ATOM 1417 CG LEU A 86 -3.206 16.149 -7.124 1.00 0.00 C ATOM 1418 CD1 LEU A 86 -2.730 15.562 -5.807 1.00 0.00 C ATOM 1419 CD2 LEU A 86 -4.394 15.367 -7.668 1.00 0.00 C ATOM 0 H LEU A 86 -1.448 18.631 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.451 18.004 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.261 17.721 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.094 17.966 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.393 16.074 -7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.477 14.511 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.849 16.105 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.522 15.648 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.117 14.319 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.230 15.446 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.686 15.775 -8.635 1.00 0.00 H new ATOM 1431 N GLU A 87 -2.322 19.498 -8.938 1.00 0.00 N ATOM 1432 CA GLU A 87 -2.361 20.553 -9.950 1.00 0.00 C ATOM 1433 C GLU A 87 -2.394 19.953 -11.357 1.00 0.00 C ATOM 1434 O GLU A 87 -3.258 20.299 -12.167 1.00 0.00 O ATOM 1435 CB GLU A 87 -1.148 21.482 -9.804 1.00 0.00 C ATOM 1436 CG GLU A 87 -1.327 22.838 -10.473 1.00 0.00 C ATOM 1437 CD GLU A 87 -0.449 23.913 -9.863 1.00 0.00 C ATOM 1438 OE1 GLU A 87 -0.749 24.356 -8.733 1.00 0.00 O ATOM 1439 OE2 GLU A 87 0.538 24.318 -10.514 1.00 0.00 O ATOM 0 H GLU A 87 -2.202 18.559 -9.318 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.271 21.134 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.945 21.635 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.273 20.991 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.098 22.747 -11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.371 23.141 -10.397 1.00 0.00 H new ATOM 1446 N HIS A 88 -1.451 19.048 -11.639 1.00 0.00 N ATOM 1447 CA HIS A 88 -1.375 18.395 -12.944 1.00 0.00 C ATOM 1448 C HIS A 88 -0.591 17.084 -12.863 1.00 0.00 C ATOM 1449 O HIS A 88 0.609 17.047 -13.147 1.00 0.00 O ATOM 1450 CB HIS A 88 -0.736 19.335 -13.973 1.00 0.00 C ATOM 1451 CG HIS A 88 -1.587 19.559 -15.184 1.00 0.00 C ATOM 1452 ND1 HIS A 88 -1.079 19.599 -16.465 1.00 0.00 N ATOM 1453 CD2 HIS A 88 -2.924 19.751 -15.306 1.00 0.00 C ATOM 1454 CE1 HIS A 88 -2.064 19.807 -17.322 1.00 0.00 C ATOM 1455 NE2 HIS A 88 -3.192 19.900 -16.644 1.00 0.00 N ATOM 0 H HIS A 88 -0.731 18.753 -10.979 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.391 18.160 -13.262 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.532 20.295 -13.499 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.224 18.922 -14.284 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.643 19.781 -14.501 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.963 19.887 -18.394 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.115 20.057 -17.049 1.00 0.00 H new ATOM 1464 N HIS A 89 -1.279 16.010 -12.476 1.00 0.00 N ATOM 1465 CA HIS A 89 -0.647 14.694 -12.363 1.00 0.00 C ATOM 1466 C HIS A 89 -1.220 13.709 -13.386 1.00 0.00 C ATOM 1467 O HIS A 89 -0.469 12.970 -14.024 1.00 0.00 O ATOM 1468 CB HIS A 89 -0.812 14.136 -10.945 1.00 0.00 C ATOM 1469 CG HIS A 89 0.432 13.497 -10.407 1.00 0.00 C ATOM 1470 ND1 HIS A 89 1.631 14.170 -10.282 1.00 0.00 N ATOM 1471 CD2 HIS A 89 0.663 12.239 -9.961 1.00 0.00 C ATOM 1472 CE1 HIS A 89 2.542 13.354 -9.784 1.00 0.00 C ATOM 1473 NE2 HIS A 89 1.982 12.177 -9.580 1.00 0.00 N ATOM 0 H HIS A 89 -2.270 16.024 -12.236 1.00 0.00 H new ATOM 0 HA HIS A 89 0.415 14.820 -12.572 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -1.114 14.943 -10.278 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.618 13.402 -10.943 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.056 11.434 -9.914 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.572 13.607 -9.578 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.452 11.355 -9.201 1.00 0.00 H new ATOM 1482 N HIS A 90 -2.547 13.707 -13.544 1.00 0.00 N ATOM 1483 CA HIS A 90 -3.207 12.812 -14.498 1.00 0.00 C ATOM 1484 C HIS A 90 -3.254 13.436 -15.900 1.00 0.00 C ATOM 1485 O HIS A 90 -4.313 13.487 -16.536 1.00 0.00 O ATOM 1486 CB HIS A 90 -4.625 12.472 -14.014 1.00 0.00 C ATOM 1487 CG HIS A 90 -5.039 11.050 -14.267 1.00 0.00 C ATOM 1488 ND1 HIS A 90 -4.374 10.205 -15.134 1.00 0.00 N ATOM 1489 CD2 HIS A 90 -6.065 10.324 -13.757 1.00 0.00 C ATOM 1490 CE1 HIS A 90 -4.975 9.027 -15.147 1.00 0.00 C ATOM 1491 NE2 HIS A 90 -6.001 9.074 -14.319 1.00 0.00 N ATOM 0 H HIS A 90 -3.183 14.313 -13.026 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.626 11.892 -14.559 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.689 12.672 -12.944 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.334 13.138 -14.506 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -6.797 10.667 -13.041 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -4.677 8.172 -15.735 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -6.643 8.305 -14.128 1.00 0.00 H new ATOM 1500 N HIS A 91 -2.100 13.902 -16.381 1.00 0.00 N ATOM 1501 CA HIS A 91 -2.002 14.514 -17.705 1.00 0.00 C ATOM 1502 C HIS A 91 -0.545 14.580 -18.185 1.00 0.00 C ATOM 1503 O HIS A 91 -0.145 15.536 -18.853 1.00 0.00 O ATOM 1504 CB HIS A 91 -2.623 15.919 -17.688 1.00 0.00 C ATOM 1505 CG HIS A 91 -3.543 16.182 -18.839 1.00 0.00 C ATOM 1506 ND1 HIS A 91 -4.855 16.579 -18.682 1.00 0.00 N ATOM 1507 CD2 HIS A 91 -3.335 16.102 -20.176 1.00 0.00 C ATOM 1508 CE1 HIS A 91 -5.414 16.730 -19.869 1.00 0.00 C ATOM 1509 NE2 HIS A 91 -4.514 16.448 -20.793 1.00 0.00 N ATOM 0 H HIS A 91 -1.218 13.866 -15.870 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.556 13.889 -18.406 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -3.173 16.053 -16.756 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.824 16.660 -17.696 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.415 15.819 -20.665 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.434 17.033 -20.053 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.668 16.481 -21.801 1.00 0.00 H new ATOM 1518 N HIS A 92 0.244 13.554 -17.845 1.00 0.00 N ATOM 1519 CA HIS A 92 1.649 13.499 -18.242 1.00 0.00 C ATOM 1520 C HIS A 92 1.955 12.183 -18.955 1.00 0.00 C ATOM 1521 O HIS A 92 2.203 11.161 -18.311 1.00 0.00 O ATOM 1522 CB HIS A 92 2.555 13.658 -17.014 1.00 0.00 C ATOM 1523 CG HIS A 92 3.987 13.977 -17.335 1.00 0.00 C ATOM 1524 ND1 HIS A 92 4.390 14.566 -18.519 1.00 0.00 N ATOM 1525 CD2 HIS A 92 5.116 13.791 -16.609 1.00 0.00 C ATOM 1526 CE1 HIS A 92 5.702 14.727 -18.504 1.00 0.00 C ATOM 1527 NE2 HIS A 92 6.166 14.264 -17.359 1.00 0.00 N ATOM 0 H HIS A 92 -0.070 12.753 -17.296 1.00 0.00 H new ATOM 0 HA HIS A 92 1.844 14.320 -18.932 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.153 14.449 -16.381 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.523 12.737 -16.432 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.179 13.353 -15.624 1.00 0.00 H new ATOM 0 HE1 HIS A 92 6.294 15.164 -19.295 1.00 0.00 H new ATOM 0 HE2 HIS A 92 7.146 14.258 -17.076 1.00 0.00 H new ATOM 1536 N HIS A 93 1.935 12.216 -20.287 1.00 0.00 N ATOM 1537 CA HIS A 93 2.210 11.032 -21.101 1.00 0.00 C ATOM 1538 C HIS A 93 2.435 11.407 -22.567 1.00 0.00 C ATOM 1539 O HIS A 93 1.893 12.442 -23.009 1.00 0.00 O ATOM 1540 CB HIS A 93 1.069 9.999 -20.982 1.00 0.00 C ATOM 1541 CG HIS A 93 -0.319 10.560 -21.142 1.00 0.00 C ATOM 1542 ND1 HIS A 93 -1.456 9.786 -21.023 1.00 0.00 N ATOM 1543 CD2 HIS A 93 -0.753 11.816 -21.415 1.00 0.00 C ATOM 1544 CE1 HIS A 93 -2.524 10.540 -21.216 1.00 0.00 C ATOM 1545 NE2 HIS A 93 -2.125 11.776 -21.455 1.00 0.00 N ATOM 1546 OXT HIS A 93 3.159 10.661 -23.259 1.00 0.00 O ATOM 0 H HIS A 93 1.730 13.056 -20.828 1.00 0.00 H new ATOM 0 HA HIS A 93 3.126 10.580 -20.720 1.00 0.00 H new ATOM 0 HB2 HIS A 93 1.220 9.225 -21.734 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.138 9.515 -20.008 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.134 12.687 -21.572 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.549 10.203 -21.184 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.736 12.571 -21.639 1.00 0.00 H new TER 1555 HIS A 93