USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 832 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 93 LYS NZ :NH3+ -135:sc= -1.24! (180deg=-5.34!) USER MOD Set 1.2: A 97 SER OG : rot -2:sc= 0.593 USER MOD Set 2.1: A 66 THR OG1 : rot 72:sc= 0.608 USER MOD Set 2.2: A 67 ASN : amide:sc= 0.92 K(o=1.5,f=-0.59) USER MOD Set 3.1: A 46 TYR OH : rot -59:sc= 1.15 USER MOD Set 3.2: A 69 SER OG : rot 168:sc= 1.66 USER MOD Set 3.3: A 71 SER OG : rot -120:sc= 0 USER MOD Set 3.4: A 85 TYR OH : rot 15:sc= 1.01 USER MOD Set 4.1: A 34 THR OG1 : rot -53:sc= 1.24 USER MOD Set 4.2: A 37 THR OG1 : rot 123:sc= 1.33 USER MOD Single : A 1 MET CE :methyl -105:sc= -2.4! (180deg=-2.72!) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0345) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= -0.0207 (180deg=-0.221) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.05 K(o=1.1,f=-6.1!) USER MOD Single : A 9 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.036) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 162:sc= -0.543 (180deg=-1.19) USER MOD Single : A 17 TYR OH : rot -15:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.758 K(o=0.76,f=-0.45) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= -0.511! (180deg=-1.71!) USER MOD Single : A 26 LYS NZ :NH3+ -148:sc= -0.473! (180deg=-3.1!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -5.75! C(o=-6.7!,f=-5.7!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -18:sc= 0.025 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 65 MET CE :methyl -140:sc= -3.11! (180deg=-6.56!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 8:sc= -0.459! USER MOD Single : A 74 ASN :FLIP amide:sc= -3.36! F(o=-3.9,f=-3.4!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.144 USER MOD Single : A 89 THR OG1 : rot 22:sc= 1.08 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.126 7.819 6.196 1.00 0.00 N ATOM 2 CA MET A 1 7.713 6.501 5.871 1.00 0.00 C ATOM 3 C MET A 1 7.368 6.100 4.444 1.00 0.00 C ATOM 4 O MET A 1 6.197 6.092 4.066 1.00 0.00 O ATOM 5 CB MET A 1 7.222 5.437 6.858 1.00 0.00 C ATOM 6 CG MET A 1 7.767 5.619 8.269 1.00 0.00 C ATOM 7 SD MET A 1 7.230 4.326 9.408 1.00 0.00 S ATOM 8 CE MET A 1 5.483 4.695 9.557 1.00 0.00 C ATOM 0 H1 MET A 1 7.468 8.131 7.127 1.00 0.00 H new ATOM 0 H2 MET A 1 7.408 8.512 5.474 1.00 0.00 H new ATOM 0 H3 MET A 1 6.089 7.742 6.216 1.00 0.00 H new ATOM 0 HA MET A 1 8.797 6.578 5.956 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.133 5.460 6.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.509 4.452 6.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.856 5.633 8.232 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.449 6.588 8.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.291 5.162 10.523 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.185 5.375 8.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.908 3.772 9.480 1.00 0.00 H new ATOM 20 N VAL A 2 8.406 5.773 3.669 1.00 0.00 N ATOM 21 CA VAL A 2 8.275 5.433 2.247 1.00 0.00 C ATOM 22 C VAL A 2 7.916 6.667 1.413 1.00 0.00 C ATOM 23 O VAL A 2 7.080 7.485 1.803 1.00 0.00 O ATOM 24 CB VAL A 2 7.248 4.296 2.009 1.00 0.00 C ATOM 25 CG1 VAL A 2 7.058 4.020 0.522 1.00 0.00 C ATOM 26 CG2 VAL A 2 7.696 3.029 2.723 1.00 0.00 C ATOM 0 H VAL A 2 9.366 5.736 4.011 1.00 0.00 H new ATOM 0 HA VAL A 2 9.248 5.067 1.921 1.00 0.00 H new ATOM 0 HB VAL A 2 6.290 4.619 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.332 3.218 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.696 4.922 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.010 3.723 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.968 2.237 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.668 2.719 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.774 3.222 3.793 1.00 0.00 H new ATOM 36 N LYS A 3 8.580 6.818 0.275 1.00 0.00 N ATOM 37 CA LYS A 3 8.367 7.975 -0.579 1.00 0.00 C ATOM 38 C LYS A 3 7.924 7.571 -1.982 1.00 0.00 C ATOM 39 O LYS A 3 6.968 8.128 -2.526 1.00 0.00 O ATOM 40 CB LYS A 3 9.643 8.821 -0.655 1.00 0.00 C ATOM 41 CG LYS A 3 9.562 9.929 -1.689 1.00 0.00 C ATOM 42 CD LYS A 3 10.827 10.763 -1.743 1.00 0.00 C ATOM 43 CE LYS A 3 10.767 11.764 -2.887 1.00 0.00 C ATOM 44 NZ LYS A 3 9.576 12.651 -2.791 1.00 0.00 N ATOM 0 H LYS A 3 9.270 6.154 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 3 7.566 8.567 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.840 9.259 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.488 8.173 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.375 9.493 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.714 10.574 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.960 11.291 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.692 10.112 -1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.672 12.371 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.745 11.229 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.668 13.431 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.718 12.104 -3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.509 13.039 -1.828 1.00 0.00 H new ATOM 58 N THR A 4 8.616 6.614 -2.571 1.00 0.00 N ATOM 59 CA THR A 4 8.337 6.227 -3.939 1.00 0.00 C ATOM 60 C THR A 4 7.652 4.871 -3.996 1.00 0.00 C ATOM 61 O THR A 4 8.308 3.829 -3.978 1.00 0.00 O ATOM 62 CB THR A 4 9.624 6.190 -4.778 1.00 0.00 C ATOM 63 OG1 THR A 4 10.391 7.372 -4.525 1.00 0.00 O ATOM 64 CG2 THR A 4 9.299 6.103 -6.261 1.00 0.00 C ATOM 0 H THR A 4 9.371 6.093 -2.126 1.00 0.00 H new ATOM 0 HA THR A 4 7.666 6.978 -4.357 1.00 0.00 H new ATOM 0 HB THR A 4 10.198 5.307 -4.497 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.213 7.349 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.225 6.078 -6.836 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.727 5.196 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.712 6.973 -6.556 1.00 0.00 H new ATOM 72 N LEU A 5 6.333 4.888 -4.034 1.00 0.00 N ATOM 73 CA LEU A 5 5.567 3.658 -4.133 1.00 0.00 C ATOM 74 C LEU A 5 4.539 3.739 -5.258 1.00 0.00 C ATOM 75 O LEU A 5 3.888 4.769 -5.448 1.00 0.00 O ATOM 76 CB LEU A 5 4.860 3.359 -2.810 1.00 0.00 C ATOM 77 CG LEU A 5 4.103 2.029 -2.770 1.00 0.00 C ATOM 78 CD1 LEU A 5 5.070 0.859 -2.869 1.00 0.00 C ATOM 79 CD2 LEU A 5 3.270 1.933 -1.505 1.00 0.00 C ATOM 0 H LEU A 5 5.770 5.738 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 5 6.264 2.851 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.600 3.363 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.158 4.166 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 5 3.431 1.987 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.513 -0.077 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.623 0.922 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.768 0.893 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.738 0.982 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.922 1.996 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.551 2.752 -1.480 1.00 0.00 H new ATOM 91 N ARG A 6 4.404 2.649 -5.999 1.00 0.00 N ATOM 92 CA ARG A 6 3.388 2.533 -7.034 1.00 0.00 C ATOM 93 C ARG A 6 2.864 1.107 -7.088 1.00 0.00 C ATOM 94 O ARG A 6 3.635 0.149 -7.015 1.00 0.00 O ATOM 95 CB ARG A 6 3.941 2.962 -8.397 1.00 0.00 C ATOM 96 CG ARG A 6 5.321 2.420 -8.712 1.00 0.00 C ATOM 97 CD ARG A 6 5.715 2.746 -10.140 1.00 0.00 C ATOM 98 NE ARG A 6 7.119 2.439 -10.410 1.00 0.00 N ATOM 99 CZ ARG A 6 7.601 1.208 -10.580 1.00 0.00 C ATOM 100 NH1 ARG A 6 6.808 0.152 -10.462 1.00 0.00 N ATOM 101 NH2 ARG A 6 8.885 1.027 -10.861 1.00 0.00 N ATOM 0 H ARG A 6 4.994 1.823 -5.900 1.00 0.00 H new ATOM 0 HA ARG A 6 2.563 3.201 -6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.250 2.636 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.974 4.051 -8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.050 2.846 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.335 1.340 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.083 2.183 -10.827 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.532 3.803 -10.333 1.00 0.00 H new ATOM 0 HE ARG A 6 7.773 3.219 -10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.821 0.278 -10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.185 -0.786 -10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.506 1.831 -10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.251 0.084 -10.990 1.00 0.00 H new ATOM 115 N LEU A 7 1.551 0.971 -7.194 1.00 0.00 N ATOM 116 CA LEU A 7 0.918 -0.338 -7.190 1.00 0.00 C ATOM 117 C LEU A 7 0.575 -0.769 -8.609 1.00 0.00 C ATOM 118 O LEU A 7 -0.167 -0.076 -9.312 1.00 0.00 O ATOM 119 CB LEU A 7 -0.344 -0.319 -6.323 1.00 0.00 C ATOM 120 CG LEU A 7 -0.118 0.047 -4.853 1.00 0.00 C ATOM 121 CD1 LEU A 7 -1.441 0.068 -4.100 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.852 -0.928 -4.201 1.00 0.00 C ATOM 0 H LEU A 7 0.902 1.753 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 7 1.620 -1.058 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.051 0.391 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.812 -1.302 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 7 0.319 1.045 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.262 0.330 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.104 0.806 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.905 -0.917 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.000 -0.651 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.444 -1.937 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.808 -0.895 -4.724 1.00 0.00 H new ATOM 134 N ASN A 8 1.141 -1.903 -9.019 1.00 0.00 N ATOM 135 CA ASN A 8 0.948 -2.465 -10.366 1.00 0.00 C ATOM 136 C ASN A 8 1.649 -1.621 -11.426 1.00 0.00 C ATOM 137 O ASN A 8 2.474 -2.126 -12.187 1.00 0.00 O ATOM 138 CB ASN A 8 -0.541 -2.607 -10.723 1.00 0.00 C ATOM 139 CG ASN A 8 -1.259 -3.682 -9.924 1.00 0.00 C ATOM 140 OD1 ASN A 8 -0.948 -3.931 -8.759 1.00 0.00 O ATOM 141 ND2 ASN A 8 -2.225 -4.336 -10.552 1.00 0.00 N ATOM 0 H ASN A 8 1.751 -2.466 -8.426 1.00 0.00 H new ATOM 0 HA ASN A 8 1.394 -3.460 -10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.038 -1.651 -10.558 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.631 -2.835 -11.785 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.739 -5.073 -10.070 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.455 -4.102 -11.518 1.00 0.00 H new ATOM 148 N ASN A 9 1.311 -0.338 -11.462 1.00 0.00 N ATOM 149 CA ASN A 9 1.862 0.593 -12.438 1.00 0.00 C ATOM 150 C ASN A 9 1.530 2.032 -12.055 1.00 0.00 C ATOM 151 O ASN A 9 2.221 2.967 -12.458 1.00 0.00 O ATOM 152 CB ASN A 9 1.320 0.283 -13.840 1.00 0.00 C ATOM 153 CG ASN A 9 1.789 1.279 -14.885 1.00 0.00 C ATOM 154 OD1 ASN A 9 1.108 2.263 -15.176 1.00 0.00 O ATOM 155 ND2 ASN A 9 2.963 1.036 -15.446 1.00 0.00 N ATOM 0 H ASN A 9 0.647 0.086 -10.815 1.00 0.00 H new ATOM 0 HA ASN A 9 2.946 0.476 -12.446 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.634 -0.719 -14.133 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.230 0.280 -13.811 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.335 1.676 -16.148 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.496 0.209 -15.176 1.00 0.00 H new ATOM 162 N VAL A 10 0.492 2.209 -11.246 1.00 0.00 N ATOM 163 CA VAL A 10 0.011 3.531 -10.915 1.00 0.00 C ATOM 164 C VAL A 10 0.721 4.046 -9.674 1.00 0.00 C ATOM 165 O VAL A 10 0.856 3.329 -8.683 1.00 0.00 O ATOM 166 CB VAL A 10 -1.518 3.534 -10.697 1.00 0.00 C ATOM 167 CG1 VAL A 10 -2.239 3.172 -11.986 1.00 0.00 C ATOM 168 CG2 VAL A 10 -1.920 2.580 -9.580 1.00 0.00 C ATOM 0 H VAL A 10 -0.029 1.448 -10.810 1.00 0.00 H new ATOM 0 HA VAL A 10 0.230 4.192 -11.754 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.811 4.541 -10.400 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.315 3.179 -11.815 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.990 3.899 -12.759 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.929 2.178 -12.309 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.002 2.605 -9.452 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.609 1.567 -9.837 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.437 2.883 -8.651 1.00 0.00 H new ATOM 178 N THR A 11 1.194 5.277 -9.736 1.00 0.00 N ATOM 179 CA THR A 11 1.941 5.841 -8.633 1.00 0.00 C ATOM 180 C THR A 11 0.990 6.193 -7.492 1.00 0.00 C ATOM 181 O THR A 11 -0.166 6.559 -7.724 1.00 0.00 O ATOM 182 CB THR A 11 2.769 7.074 -9.078 1.00 0.00 C ATOM 183 OG1 THR A 11 3.868 7.291 -8.178 1.00 0.00 O ATOM 184 CG2 THR A 11 1.914 8.333 -9.152 1.00 0.00 C ATOM 0 H THR A 11 1.074 5.900 -10.534 1.00 0.00 H new ATOM 0 HA THR A 11 2.652 5.094 -8.278 1.00 0.00 H new ATOM 0 HB THR A 11 3.151 6.864 -10.077 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.383 8.071 -8.472 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.531 9.174 -9.467 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.109 8.184 -9.871 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.489 8.543 -8.170 1.00 0.00 H new ATOM 192 N LEU A 12 1.461 6.052 -6.267 1.00 0.00 N ATOM 193 CA LEU A 12 0.600 6.198 -5.110 1.00 0.00 C ATOM 194 C LEU A 12 1.088 7.297 -4.182 1.00 0.00 C ATOM 195 O LEU A 12 2.263 7.347 -3.811 1.00 0.00 O ATOM 196 CB LEU A 12 0.533 4.879 -4.351 1.00 0.00 C ATOM 197 CG LEU A 12 -0.360 4.869 -3.112 1.00 0.00 C ATOM 198 CD1 LEU A 12 -1.824 5.042 -3.495 1.00 0.00 C ATOM 199 CD2 LEU A 12 -0.156 3.580 -2.339 1.00 0.00 C ATOM 0 H LEU A 12 2.434 5.837 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.393 6.475 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.182 4.106 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.544 4.603 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.081 5.709 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.439 5.031 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.955 5.992 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.127 4.226 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.796 3.580 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.412 2.731 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.887 3.502 -2.031 1.00 0.00 H new ATOM 211 N GLU A 13 0.170 8.167 -3.821 1.00 0.00 N ATOM 212 CA GLU A 13 0.422 9.180 -2.812 1.00 0.00 C ATOM 213 C GLU A 13 -0.121 8.693 -1.475 1.00 0.00 C ATOM 214 O GLU A 13 -0.962 7.793 -1.435 1.00 0.00 O ATOM 215 CB GLU A 13 -0.216 10.522 -3.194 1.00 0.00 C ATOM 216 CG GLU A 13 0.569 11.314 -4.237 1.00 0.00 C ATOM 217 CD GLU A 13 0.531 10.704 -5.626 1.00 0.00 C ATOM 218 OE1 GLU A 13 -0.422 10.995 -6.379 1.00 0.00 O ATOM 219 OE2 GLU A 13 1.456 9.947 -5.977 1.00 0.00 O ATOM 0 H GLU A 13 -0.770 8.195 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 13 1.497 9.342 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.221 10.339 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.321 11.130 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.171 12.328 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.607 11.394 -3.914 1.00 0.00 H new ATOM 226 N MET A 14 0.352 9.272 -0.382 1.00 0.00 N ATOM 227 CA MET A 14 -0.009 8.788 0.938 1.00 0.00 C ATOM 228 C MET A 14 0.134 9.880 1.977 1.00 0.00 C ATOM 229 O MET A 14 0.676 10.952 1.702 1.00 0.00 O ATOM 230 CB MET A 14 0.868 7.591 1.319 1.00 0.00 C ATOM 231 CG MET A 14 2.358 7.874 1.206 1.00 0.00 C ATOM 232 SD MET A 14 3.352 6.375 1.212 1.00 0.00 S ATOM 233 CE MET A 14 2.772 5.593 -0.292 1.00 0.00 C ATOM 0 H MET A 14 0.983 10.073 -0.384 1.00 0.00 H new ATOM 0 HA MET A 14 -1.053 8.476 0.909 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.639 7.293 2.342 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.616 6.747 0.677 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.550 8.428 0.287 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.666 8.513 2.034 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.488 4.834 -0.607 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.805 5.125 -0.109 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.670 6.343 -1.076 1.00 0.00 H new ATOM 243 N ALA A 15 -0.366 9.599 3.163 1.00 0.00 N ATOM 244 CA ALA A 15 -0.221 10.500 4.287 1.00 0.00 C ATOM 245 C ALA A 15 0.529 9.800 5.409 1.00 0.00 C ATOM 246 O ALA A 15 1.586 10.250 5.840 1.00 0.00 O ATOM 247 CB ALA A 15 -1.583 10.973 4.764 1.00 0.00 C ATOM 0 H ALA A 15 -0.881 8.744 3.374 1.00 0.00 H new ATOM 0 HA ALA A 15 0.350 11.374 3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.458 11.650 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.091 11.495 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.179 10.114 5.072 1.00 0.00 H new ATOM 253 N ALA A 16 -0.014 8.673 5.850 1.00 0.00 N ATOM 254 CA ALA A 16 0.605 7.892 6.908 1.00 0.00 C ATOM 255 C ALA A 16 0.765 6.440 6.478 1.00 0.00 C ATOM 256 O ALA A 16 -0.107 5.606 6.716 1.00 0.00 O ATOM 257 CB ALA A 16 -0.204 7.989 8.193 1.00 0.00 C ATOM 0 H ALA A 16 -0.884 8.280 5.489 1.00 0.00 H new ATOM 0 HA ALA A 16 1.596 8.302 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.277 7.397 8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.259 9.030 8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.211 7.609 8.019 1.00 0.00 H new ATOM 263 N TYR A 17 1.858 6.161 5.785 1.00 0.00 N ATOM 264 CA TYR A 17 2.186 4.803 5.373 1.00 0.00 C ATOM 265 C TYR A 17 2.871 4.046 6.511 1.00 0.00 C ATOM 266 O TYR A 17 4.028 4.312 6.827 1.00 0.00 O ATOM 267 CB TYR A 17 3.101 4.841 4.146 1.00 0.00 C ATOM 268 CG TYR A 17 3.314 3.498 3.475 1.00 0.00 C ATOM 269 CD1 TYR A 17 4.363 2.666 3.844 1.00 0.00 C ATOM 270 CD2 TYR A 17 2.475 3.077 2.454 1.00 0.00 C ATOM 271 CE1 TYR A 17 4.563 1.452 3.213 1.00 0.00 C ATOM 272 CE2 TYR A 17 2.665 1.865 1.826 1.00 0.00 C ATOM 273 CZ TYR A 17 3.711 1.059 2.204 1.00 0.00 C ATOM 274 OH TYR A 17 3.909 -0.143 1.566 1.00 0.00 O ATOM 0 H TYR A 17 2.539 6.863 5.494 1.00 0.00 H new ATOM 0 HA TYR A 17 1.262 4.283 5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.681 5.534 3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.070 5.241 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.032 2.972 4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.657 3.711 2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.383 0.815 3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.994 1.550 1.040 1.00 0.00 H new ATOM 0 HH TYR A 17 4.808 -0.477 1.768 1.00 0.00 H new ATOM 284 N GLN A 18 2.152 3.123 7.134 1.00 0.00 N ATOM 285 CA GLN A 18 2.729 2.286 8.179 1.00 0.00 C ATOM 286 C GLN A 18 3.317 1.024 7.565 1.00 0.00 C ATOM 287 O GLN A 18 2.596 0.224 6.964 1.00 0.00 O ATOM 288 CB GLN A 18 1.669 1.916 9.224 1.00 0.00 C ATOM 289 CG GLN A 18 2.166 0.945 10.286 1.00 0.00 C ATOM 290 CD GLN A 18 1.078 0.527 11.254 1.00 0.00 C ATOM 291 OE1 GLN A 18 0.149 1.288 11.532 1.00 0.00 O ATOM 292 NE2 GLN A 18 1.176 -0.691 11.767 1.00 0.00 N ATOM 0 H GLN A 18 1.170 2.934 6.935 1.00 0.00 H new ATOM 0 HA GLN A 18 3.521 2.847 8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.320 2.826 9.712 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.810 1.477 8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.573 0.059 9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.982 1.407 10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.961 -1.290 11.511 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.467 -1.029 12.417 1.00 0.00 H new ATOM 301 N GLU A 19 4.622 0.854 7.704 1.00 0.00 N ATOM 302 CA GLU A 19 5.293 -0.307 7.151 1.00 0.00 C ATOM 303 C GLU A 19 6.093 -1.036 8.218 1.00 0.00 C ATOM 304 O GLU A 19 6.817 -0.425 9.005 1.00 0.00 O ATOM 305 CB GLU A 19 6.167 0.104 5.951 1.00 0.00 C ATOM 306 CG GLU A 19 7.515 -0.607 5.832 1.00 0.00 C ATOM 307 CD GLU A 19 8.641 0.126 6.549 1.00 0.00 C ATOM 308 OE1 GLU A 19 8.789 1.349 6.342 1.00 0.00 O ATOM 309 OE2 GLU A 19 9.387 -0.518 7.323 1.00 0.00 O ATOM 0 H GLU A 19 5.235 1.505 8.194 1.00 0.00 H new ATOM 0 HA GLU A 19 4.541 -1.007 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.602 -0.075 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.348 1.177 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.426 -1.613 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.772 -0.713 4.778 1.00 0.00 H new ATOM 316 N GLU A 20 5.912 -2.341 8.255 1.00 0.00 N ATOM 317 CA GLU A 20 6.684 -3.213 9.117 1.00 0.00 C ATOM 318 C GLU A 20 7.107 -4.441 8.314 1.00 0.00 C ATOM 319 O GLU A 20 6.302 -5.325 8.019 1.00 0.00 O ATOM 320 CB GLU A 20 5.878 -3.581 10.374 1.00 0.00 C ATOM 321 CG GLU A 20 4.472 -4.081 10.083 1.00 0.00 C ATOM 322 CD GLU A 20 3.550 -3.992 11.281 1.00 0.00 C ATOM 323 OE1 GLU A 20 3.590 -4.889 12.146 1.00 0.00 O ATOM 324 OE2 GLU A 20 2.741 -3.040 11.345 1.00 0.00 O ATOM 0 H GLU A 20 5.221 -2.829 7.685 1.00 0.00 H new ATOM 0 HA GLU A 20 7.582 -2.704 9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.418 -4.349 10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.815 -2.706 11.021 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.049 -3.501 9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.523 -5.117 9.748 1.00 0.00 H new ATOM 331 N SER A 21 8.366 -4.448 7.907 1.00 0.00 N ATOM 332 CA SER A 21 8.878 -5.474 7.013 1.00 0.00 C ATOM 333 C SER A 21 9.315 -6.706 7.797 1.00 0.00 C ATOM 334 O SER A 21 9.356 -7.818 7.264 1.00 0.00 O ATOM 335 CB SER A 21 10.048 -4.908 6.201 1.00 0.00 C ATOM 336 OG SER A 21 10.482 -5.814 5.200 1.00 0.00 O ATOM 0 H SER A 21 9.056 -3.750 8.184 1.00 0.00 H new ATOM 0 HA SER A 21 8.084 -5.778 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.747 -3.969 5.736 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.878 -4.680 6.870 1.00 0.00 H new ATOM 0 HG SER A 21 11.228 -5.419 4.702 1.00 0.00 H new ATOM 342 N GLU A 22 9.628 -6.512 9.070 1.00 0.00 N ATOM 343 CA GLU A 22 10.081 -7.610 9.908 1.00 0.00 C ATOM 344 C GLU A 22 8.910 -8.259 10.623 1.00 0.00 C ATOM 345 O GLU A 22 7.780 -7.828 10.419 1.00 0.00 O ATOM 346 CB GLU A 22 11.189 -7.145 10.843 1.00 0.00 C ATOM 347 CG GLU A 22 12.466 -6.821 10.100 1.00 0.00 C ATOM 348 CD GLU A 22 13.579 -6.352 11.004 1.00 0.00 C ATOM 349 OE1 GLU A 22 14.172 -7.198 11.709 1.00 0.00 O ATOM 350 OE2 GLU A 22 13.891 -5.144 10.993 1.00 0.00 O ATOM 0 H GLU A 22 9.577 -5.609 9.542 1.00 0.00 H new ATOM 0 HA GLU A 22 10.518 -8.388 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.855 -6.263 11.389 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.388 -7.921 11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.797 -7.706 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.261 -6.050 9.358 1.00 0.00 H new ATOM 357 N PRO A 23 9.177 -9.163 11.599 1.00 0.00 N ATOM 358 CA PRO A 23 8.542 -10.461 11.768 1.00 0.00 C ATOM 359 C PRO A 23 7.567 -10.957 10.677 1.00 0.00 C ATOM 360 O PRO A 23 7.495 -12.160 10.424 1.00 0.00 O ATOM 361 CB PRO A 23 7.901 -10.276 13.132 1.00 0.00 C ATOM 362 CG PRO A 23 8.921 -9.447 13.881 1.00 0.00 C ATOM 363 CD PRO A 23 9.910 -8.922 12.841 1.00 0.00 C ATOM 0 HA PRO A 23 9.264 -11.273 11.679 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.941 -9.765 13.060 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.718 -11.231 13.624 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.439 -8.623 14.407 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.432 -10.049 14.632 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.136 -7.866 12.986 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.859 -9.458 12.869 1.00 0.00 H new ATOM 371 N LYS A 24 6.856 -10.065 10.026 1.00 0.00 N ATOM 372 CA LYS A 24 5.948 -10.415 8.952 1.00 0.00 C ATOM 373 C LYS A 24 5.559 -9.147 8.217 1.00 0.00 C ATOM 374 O LYS A 24 5.055 -8.205 8.823 1.00 0.00 O ATOM 375 CB LYS A 24 4.698 -11.108 9.485 1.00 0.00 C ATOM 376 CG LYS A 24 4.064 -12.072 8.496 1.00 0.00 C ATOM 377 CD LYS A 24 2.765 -12.643 9.035 1.00 0.00 C ATOM 378 CE LYS A 24 2.217 -13.755 8.148 1.00 0.00 C ATOM 379 NZ LYS A 24 2.156 -13.364 6.711 1.00 0.00 N ATOM 0 H LYS A 24 6.890 -9.066 10.227 1.00 0.00 H new ATOM 0 HA LYS A 24 6.449 -11.109 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.955 -11.651 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.964 -10.351 9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.874 -11.557 7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.759 -12.884 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.929 -13.030 10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.025 -11.847 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.843 -14.641 8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.218 -14.028 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.582 -14.055 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.726 -12.421 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.118 -13.343 6.316 1.00 0.00 H new ATOM 393 N ARG A 25 5.795 -9.134 6.920 1.00 0.00 N ATOM 394 CA ARG A 25 5.583 -7.937 6.113 1.00 0.00 C ATOM 395 C ARG A 25 4.127 -7.489 6.152 1.00 0.00 C ATOM 396 O ARG A 25 3.246 -8.138 5.586 1.00 0.00 O ATOM 397 CB ARG A 25 6.026 -8.180 4.669 1.00 0.00 C ATOM 398 CG ARG A 25 7.531 -8.332 4.519 1.00 0.00 C ATOM 399 CD ARG A 25 7.931 -8.630 3.083 1.00 0.00 C ATOM 400 NE ARG A 25 9.385 -8.641 2.917 1.00 0.00 N ATOM 401 CZ ARG A 25 10.043 -9.449 2.083 1.00 0.00 C ATOM 402 NH1 ARG A 25 9.389 -10.350 1.358 1.00 0.00 N ATOM 403 NH2 ARG A 25 11.362 -9.361 1.988 1.00 0.00 N ATOM 0 H ARG A 25 6.135 -9.940 6.396 1.00 0.00 H new ATOM 0 HA ARG A 25 6.190 -7.138 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.538 -9.079 4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.688 -7.350 4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.023 -7.418 4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.881 -9.135 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.523 -9.596 2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.495 -7.882 2.421 1.00 0.00 H new ATOM 0 HE ARG A 25 9.932 -7.987 3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.375 -10.429 1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.901 -10.963 0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.869 -8.678 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.870 -9.976 1.352 1.00 0.00 H new ATOM 417 N LYS A 26 3.881 -6.387 6.843 1.00 0.00 N ATOM 418 CA LYS A 26 2.553 -5.806 6.924 1.00 0.00 C ATOM 419 C LYS A 26 2.628 -4.318 6.606 1.00 0.00 C ATOM 420 O LYS A 26 3.446 -3.593 7.171 1.00 0.00 O ATOM 421 CB LYS A 26 1.949 -6.043 8.320 1.00 0.00 C ATOM 422 CG LYS A 26 0.478 -5.667 8.440 1.00 0.00 C ATOM 423 CD LYS A 26 0.282 -4.261 8.990 1.00 0.00 C ATOM 424 CE LYS A 26 -0.244 -4.290 10.419 1.00 0.00 C ATOM 425 NZ LYS A 26 0.729 -4.884 11.377 1.00 0.00 N ATOM 0 H LYS A 26 4.594 -5.873 7.361 1.00 0.00 H new ATOM 0 HA LYS A 26 1.903 -6.287 6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.065 -7.095 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.519 -5.470 9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.006 -5.740 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.025 -6.382 9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.229 -3.722 8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.416 -3.715 8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.484 -3.275 10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.172 -4.861 10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.214 -5.371 12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.336 -5.565 10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.318 -4.131 11.786 1.00 0.00 H new ATOM 439 N ILE A 27 1.787 -3.871 5.689 1.00 0.00 N ATOM 440 CA ILE A 27 1.784 -2.480 5.270 1.00 0.00 C ATOM 441 C ILE A 27 0.366 -1.923 5.240 1.00 0.00 C ATOM 442 O ILE A 27 -0.506 -2.436 4.537 1.00 0.00 O ATOM 443 CB ILE A 27 2.448 -2.298 3.885 1.00 0.00 C ATOM 444 CG1 ILE A 27 1.877 -3.299 2.872 1.00 0.00 C ATOM 445 CG2 ILE A 27 3.959 -2.455 3.998 1.00 0.00 C ATOM 446 CD1 ILE A 27 2.387 -3.103 1.460 1.00 0.00 C ATOM 0 H ILE A 27 1.095 -4.454 5.219 1.00 0.00 H new ATOM 0 HA ILE A 27 2.368 -1.925 6.004 1.00 0.00 H new ATOM 0 HB ILE A 27 2.228 -1.292 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.121 -4.310 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.790 -3.218 2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.413 -2.324 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.353 -1.704 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.194 -3.450 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.937 -3.848 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.120 -2.105 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.471 -3.214 1.446 1.00 0.00 H new ATOM 458 N ALA A 28 0.139 -0.883 6.018 1.00 0.00 N ATOM 459 CA ALA A 28 -1.164 -0.246 6.085 1.00 0.00 C ATOM 460 C ALA A 28 -1.001 1.260 6.027 1.00 0.00 C ATOM 461 O ALA A 28 -0.463 1.868 6.951 1.00 0.00 O ATOM 462 CB ALA A 28 -1.892 -0.657 7.357 1.00 0.00 C ATOM 0 H ALA A 28 0.846 -0.457 6.618 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.762 -0.569 5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.867 -0.171 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.026 -1.739 7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.306 -0.356 8.225 1.00 0.00 H new ATOM 468 N PHE A 29 -1.440 1.870 4.941 1.00 0.00 N ATOM 469 CA PHE A 29 -1.269 3.304 4.790 1.00 0.00 C ATOM 470 C PHE A 29 -2.601 4.029 4.840 1.00 0.00 C ATOM 471 O PHE A 29 -3.614 3.545 4.328 1.00 0.00 O ATOM 472 CB PHE A 29 -0.517 3.647 3.500 1.00 0.00 C ATOM 473 CG PHE A 29 -1.225 3.269 2.230 1.00 0.00 C ATOM 474 CD1 PHE A 29 -1.125 1.984 1.720 1.00 0.00 C ATOM 475 CD2 PHE A 29 -1.978 4.203 1.542 1.00 0.00 C ATOM 476 CE1 PHE A 29 -1.768 1.640 0.547 1.00 0.00 C ATOM 477 CE2 PHE A 29 -2.623 3.865 0.369 1.00 0.00 C ATOM 478 CZ PHE A 29 -2.519 2.582 -0.129 1.00 0.00 C ATOM 0 H PHE A 29 -1.909 1.406 4.163 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.666 3.645 5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.324 4.720 3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.452 3.149 3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.539 1.245 2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.062 5.209 1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.684 0.636 0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.208 4.604 -0.158 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.024 2.315 -1.046 1.00 0.00 H new ATOM 488 N THR A 30 -2.589 5.178 5.488 1.00 0.00 N ATOM 489 CA THR A 30 -3.752 6.033 5.555 1.00 0.00 C ATOM 490 C THR A 30 -3.856 6.878 4.287 1.00 0.00 C ATOM 491 O THR A 30 -2.991 7.717 4.011 1.00 0.00 O ATOM 492 CB THR A 30 -3.683 6.944 6.792 1.00 0.00 C ATOM 493 OG1 THR A 30 -3.454 6.145 7.961 1.00 0.00 O ATOM 494 CG2 THR A 30 -4.969 7.738 6.961 1.00 0.00 C ATOM 0 H THR A 30 -1.773 5.542 5.981 1.00 0.00 H new ATOM 0 HA THR A 30 -4.639 5.404 5.637 1.00 0.00 H new ATOM 0 HB THR A 30 -2.862 7.648 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.408 6.725 8.750 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.891 8.373 7.843 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.132 8.359 6.080 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.807 7.052 7.081 1.00 0.00 H new ATOM 502 N LEU A 31 -4.902 6.631 3.513 1.00 0.00 N ATOM 503 CA LEU A 31 -5.143 7.366 2.284 1.00 0.00 C ATOM 504 C LEU A 31 -6.306 8.321 2.501 1.00 0.00 C ATOM 505 O LEU A 31 -7.441 7.890 2.696 1.00 0.00 O ATOM 506 CB LEU A 31 -5.462 6.402 1.133 1.00 0.00 C ATOM 507 CG LEU A 31 -4.981 6.853 -0.254 1.00 0.00 C ATOM 508 CD1 LEU A 31 -5.161 5.741 -1.276 1.00 0.00 C ATOM 509 CD2 LEU A 31 -5.726 8.099 -0.704 1.00 0.00 C ATOM 0 H LEU A 31 -5.603 5.919 3.719 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.247 7.928 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.014 5.434 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.541 6.253 1.094 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.919 7.089 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.814 6.083 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.583 4.869 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.216 5.473 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.369 8.401 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.794 7.886 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.550 8.905 0.008 1.00 0.00 H new ATOM 521 N ASN A 32 -6.025 9.612 2.485 1.00 0.00 N ATOM 522 CA ASN A 32 -7.048 10.603 2.753 1.00 0.00 C ATOM 523 C ASN A 32 -7.766 11.055 1.474 1.00 0.00 C ATOM 524 O ASN A 32 -7.289 11.907 0.728 1.00 0.00 O ATOM 525 CB ASN A 32 -6.469 11.786 3.540 1.00 0.00 C ATOM 526 CG ASN A 32 -5.126 12.284 3.036 1.00 0.00 C ATOM 527 OD1 ASN A 32 -4.907 12.214 1.737 1.00 0.00 O flip ATOM 528 ND2 ASN A 32 -4.296 12.743 3.814 1.00 0.00 N flip ATOM 0 H ASN A 32 -5.100 9.996 2.290 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.808 10.132 3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.182 12.610 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -6.365 11.494 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.500 12.782 4.813 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.402 13.086 3.462 1.00 0.00 H new ATOM 535 N VAL A 33 -8.930 10.465 1.246 1.00 0.00 N ATOM 536 CA VAL A 33 -9.741 10.731 0.059 1.00 0.00 C ATOM 537 C VAL A 33 -10.448 12.075 0.168 1.00 0.00 C ATOM 538 O VAL A 33 -10.995 12.397 1.209 1.00 0.00 O ATOM 539 CB VAL A 33 -10.785 9.616 -0.118 1.00 0.00 C ATOM 540 CG1 VAL A 33 -11.721 9.912 -1.273 1.00 0.00 C ATOM 541 CG2 VAL A 33 -10.087 8.281 -0.304 1.00 0.00 C ATOM 0 H VAL A 33 -9.344 9.783 1.881 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.078 10.758 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.396 9.568 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.446 9.104 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.245 10.849 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.146 9.996 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.832 7.495 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.452 8.323 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.475 8.065 0.572 1.00 0.00 H new ATOM 551 N THR A 34 -10.458 12.858 -0.898 1.00 0.00 N ATOM 552 CA THR A 34 -11.020 14.190 -0.817 1.00 0.00 C ATOM 553 C THR A 34 -12.519 14.158 -1.104 1.00 0.00 C ATOM 554 O THR A 34 -13.009 13.242 -1.761 1.00 0.00 O ATOM 555 CB THR A 34 -10.306 15.179 -1.761 1.00 0.00 C ATOM 556 OG1 THR A 34 -10.740 14.986 -3.116 1.00 0.00 O ATOM 557 CG2 THR A 34 -8.795 15.000 -1.694 1.00 0.00 C ATOM 0 H THR A 34 -10.090 12.598 -1.813 1.00 0.00 H new ATOM 0 HA THR A 34 -10.864 14.546 0.201 1.00 0.00 H new ATOM 0 HB THR A 34 -10.562 16.187 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.639 14.042 -3.361 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.314 15.709 -2.368 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.452 15.179 -0.675 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.535 13.984 -1.991 1.00 0.00 H new ATOM 565 N SER A 35 -13.232 15.166 -0.611 1.00 0.00 N ATOM 566 CA SER A 35 -14.696 15.181 -0.622 1.00 0.00 C ATOM 567 C SER A 35 -15.294 15.038 -2.025 1.00 0.00 C ATOM 568 O SER A 35 -16.375 14.469 -2.185 1.00 0.00 O ATOM 569 CB SER A 35 -15.186 16.479 0.013 1.00 0.00 C ATOM 570 OG SER A 35 -14.540 16.706 1.254 1.00 0.00 O ATOM 0 H SER A 35 -12.814 15.997 -0.192 1.00 0.00 H new ATOM 0 HA SER A 35 -15.030 14.315 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.994 17.314 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.265 16.432 0.162 1.00 0.00 H new ATOM 0 HG SER A 35 -14.866 17.544 1.644 1.00 0.00 H new ATOM 576 N GLU A 36 -14.590 15.539 -3.033 1.00 0.00 N ATOM 577 CA GLU A 36 -15.118 15.560 -4.394 1.00 0.00 C ATOM 578 C GLU A 36 -15.236 14.142 -4.950 1.00 0.00 C ATOM 579 O GLU A 36 -16.325 13.676 -5.290 1.00 0.00 O ATOM 580 CB GLU A 36 -14.217 16.405 -5.300 1.00 0.00 C ATOM 581 CG GLU A 36 -14.819 16.692 -6.667 1.00 0.00 C ATOM 582 CD GLU A 36 -16.106 17.489 -6.576 1.00 0.00 C ATOM 583 OE1 GLU A 36 -17.178 16.878 -6.412 1.00 0.00 O ATOM 584 OE2 GLU A 36 -16.049 18.731 -6.672 1.00 0.00 O ATOM 0 H GLU A 36 -13.655 15.935 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.112 16.006 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.001 17.350 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.265 15.890 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.097 17.241 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.013 15.750 -7.180 1.00 0.00 H new ATOM 591 N THR A 37 -14.108 13.458 -5.013 1.00 0.00 N ATOM 592 CA THR A 37 -14.045 12.117 -5.568 1.00 0.00 C ATOM 593 C THR A 37 -14.503 11.065 -4.557 1.00 0.00 C ATOM 594 O THR A 37 -14.714 9.901 -4.908 1.00 0.00 O ATOM 595 CB THR A 37 -12.611 11.827 -6.034 1.00 0.00 C ATOM 596 OG1 THR A 37 -11.713 12.730 -5.366 1.00 0.00 O ATOM 597 CG2 THR A 37 -12.489 12.009 -7.540 1.00 0.00 C ATOM 0 H THR A 37 -13.212 13.815 -4.682 1.00 0.00 H new ATOM 0 HA THR A 37 -14.725 12.064 -6.419 1.00 0.00 H new ATOM 0 HB THR A 37 -12.358 10.795 -5.790 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.032 12.217 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.465 11.799 -7.850 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.169 11.324 -8.046 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.745 13.035 -7.804 1.00 0.00 H new ATOM 605 N TYR A 38 -14.684 11.505 -3.313 1.00 0.00 N ATOM 606 CA TYR A 38 -15.085 10.642 -2.200 1.00 0.00 C ATOM 607 C TYR A 38 -16.285 9.761 -2.549 1.00 0.00 C ATOM 608 O TYR A 38 -16.361 8.613 -2.124 1.00 0.00 O ATOM 609 CB TYR A 38 -15.422 11.515 -0.982 1.00 0.00 C ATOM 610 CG TYR A 38 -15.754 10.745 0.277 1.00 0.00 C ATOM 611 CD1 TYR A 38 -14.760 10.392 1.179 1.00 0.00 C ATOM 612 CD2 TYR A 38 -17.064 10.380 0.567 1.00 0.00 C ATOM 613 CE1 TYR A 38 -15.060 9.694 2.331 1.00 0.00 C ATOM 614 CE2 TYR A 38 -17.371 9.682 1.717 1.00 0.00 C ATOM 615 CZ TYR A 38 -16.366 9.340 2.596 1.00 0.00 C ATOM 616 OH TYR A 38 -16.670 8.642 3.741 1.00 0.00 O ATOM 0 H TYR A 38 -14.555 12.481 -3.045 1.00 0.00 H new ATOM 0 HA TYR A 38 -14.250 9.977 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -14.576 12.171 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -16.268 12.155 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -13.736 10.668 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -17.854 10.647 -0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -14.275 9.426 3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -18.394 9.405 1.927 1.00 0.00 H new ATOM 0 HH TYR A 38 -15.855 8.232 4.100 1.00 0.00 H new ATOM 626 N HIS A 39 -17.208 10.294 -3.338 1.00 0.00 N ATOM 627 CA HIS A 39 -18.466 9.607 -3.610 1.00 0.00 C ATOM 628 C HIS A 39 -18.255 8.326 -4.419 1.00 0.00 C ATOM 629 O HIS A 39 -18.707 7.255 -4.018 1.00 0.00 O ATOM 630 CB HIS A 39 -19.436 10.549 -4.326 1.00 0.00 C ATOM 631 CG HIS A 39 -19.794 11.750 -3.507 1.00 0.00 C ATOM 632 ND1 HIS A 39 -19.493 13.039 -3.887 1.00 0.00 N ATOM 633 CD2 HIS A 39 -20.409 11.847 -2.308 1.00 0.00 C ATOM 634 CE1 HIS A 39 -19.902 13.877 -2.956 1.00 0.00 C ATOM 635 NE2 HIS A 39 -20.463 13.180 -1.985 1.00 0.00 N ATOM 0 H HIS A 39 -17.111 11.198 -3.801 1.00 0.00 H new ATOM 0 HA HIS A 39 -18.898 9.313 -2.654 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -18.990 10.876 -5.265 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -20.345 10.003 -4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -20.788 11.028 -1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -19.796 14.951 -2.983 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -20.870 13.568 -1.134 1.00 0.00 H new ATOM 644 N ASP A 40 -17.554 8.429 -5.541 1.00 0.00 N ATOM 645 CA ASP A 40 -17.307 7.263 -6.392 1.00 0.00 C ATOM 646 C ASP A 40 -16.297 6.327 -5.736 1.00 0.00 C ATOM 647 O ASP A 40 -16.370 5.096 -5.861 1.00 0.00 O ATOM 648 CB ASP A 40 -16.796 7.707 -7.761 1.00 0.00 C ATOM 649 CG ASP A 40 -16.631 6.548 -8.720 1.00 0.00 C ATOM 650 OD1 ASP A 40 -17.651 6.059 -9.248 1.00 0.00 O ATOM 651 OD2 ASP A 40 -15.482 6.125 -8.959 1.00 0.00 O ATOM 0 H ASP A 40 -17.148 9.299 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 40 -18.247 6.726 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.490 8.431 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.839 8.215 -7.641 1.00 0.00 H new ATOM 656 N ILE A 41 -15.364 6.925 -5.017 1.00 0.00 N ATOM 657 CA ILE A 41 -14.364 6.180 -4.272 1.00 0.00 C ATOM 658 C ILE A 41 -15.024 5.388 -3.143 1.00 0.00 C ATOM 659 O ILE A 41 -14.498 4.375 -2.687 1.00 0.00 O ATOM 660 CB ILE A 41 -13.285 7.139 -3.718 1.00 0.00 C ATOM 661 CG1 ILE A 41 -12.531 7.787 -4.881 1.00 0.00 C ATOM 662 CG2 ILE A 41 -12.316 6.419 -2.796 1.00 0.00 C ATOM 663 CD1 ILE A 41 -11.506 8.814 -4.455 1.00 0.00 C ATOM 0 H ILE A 41 -15.278 7.938 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.878 5.472 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.783 7.910 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.031 7.007 -5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.251 8.262 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -11.572 7.125 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.863 5.994 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.817 5.621 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.016 9.226 -5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.000 9.616 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.762 8.341 -3.814 1.00 0.00 H new ATOM 675 N ALA A 42 -16.200 5.844 -2.725 1.00 0.00 N ATOM 676 CA ALA A 42 -16.981 5.144 -1.714 1.00 0.00 C ATOM 677 C ALA A 42 -17.663 3.911 -2.301 1.00 0.00 C ATOM 678 O ALA A 42 -18.249 3.107 -1.576 1.00 0.00 O ATOM 679 CB ALA A 42 -18.017 6.074 -1.102 1.00 0.00 C ATOM 0 H ALA A 42 -16.634 6.699 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 42 -16.296 4.815 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -18.591 5.534 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -17.515 6.922 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -18.689 6.434 -1.881 1.00 0.00 H new ATOM 685 N VAL A 43 -17.606 3.778 -3.618 1.00 0.00 N ATOM 686 CA VAL A 43 -18.177 2.625 -4.291 1.00 0.00 C ATOM 687 C VAL A 43 -17.102 1.565 -4.517 1.00 0.00 C ATOM 688 O VAL A 43 -17.376 0.363 -4.487 1.00 0.00 O ATOM 689 CB VAL A 43 -18.821 3.013 -5.642 1.00 0.00 C ATOM 690 CG1 VAL A 43 -19.555 1.828 -6.253 1.00 0.00 C ATOM 691 CG2 VAL A 43 -19.765 4.196 -5.466 1.00 0.00 C ATOM 0 H VAL A 43 -17.169 4.457 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 43 -18.960 2.222 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 43 -18.024 3.307 -6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -20.000 2.126 -7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.852 1.012 -6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -20.340 1.496 -5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -20.208 4.454 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -20.554 3.930 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.209 5.051 -5.082 1.00 0.00 H new ATOM 701 N LEU A 44 -15.871 2.018 -4.730 1.00 0.00 N ATOM 702 CA LEU A 44 -14.747 1.104 -4.930 1.00 0.00 C ATOM 703 C LEU A 44 -14.402 0.371 -3.628 1.00 0.00 C ATOM 704 O LEU A 44 -14.817 0.786 -2.545 1.00 0.00 O ATOM 705 CB LEU A 44 -13.518 1.861 -5.446 1.00 0.00 C ATOM 706 CG LEU A 44 -12.378 0.972 -5.944 1.00 0.00 C ATOM 707 CD1 LEU A 44 -12.786 0.231 -7.209 1.00 0.00 C ATOM 708 CD2 LEU A 44 -11.127 1.791 -6.190 1.00 0.00 C ATOM 0 H LEU A 44 -15.625 3.007 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.044 0.367 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.828 2.518 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.140 2.499 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.160 0.236 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.960 -0.396 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.654 -0.394 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.036 0.951 -7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.329 1.139 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.333 2.553 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.818 2.272 -5.262 1.00 0.00 H new ATOM 720 N LEU A 45 -13.648 -0.721 -3.739 1.00 0.00 N ATOM 721 CA LEU A 45 -13.285 -1.528 -2.596 1.00 0.00 C ATOM 722 C LEU A 45 -11.804 -1.871 -2.637 1.00 0.00 C ATOM 723 O LEU A 45 -11.078 -1.444 -3.529 1.00 0.00 O ATOM 724 CB LEU A 45 -14.100 -2.827 -2.578 1.00 0.00 C ATOM 725 CG LEU A 45 -15.596 -2.664 -2.316 1.00 0.00 C ATOM 726 CD1 LEU A 45 -16.316 -3.992 -2.493 1.00 0.00 C ATOM 727 CD2 LEU A 45 -15.828 -2.119 -0.916 1.00 0.00 C ATOM 0 H LEU A 45 -13.277 -1.063 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.499 -0.953 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -13.970 -3.330 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -13.685 -3.485 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.999 -1.955 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -17.381 -3.857 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.172 -4.351 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.912 -4.722 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.898 -2.007 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -15.411 -2.810 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.341 -1.149 -0.818 1.00 0.00 H new ATOM 739 N TYR A 46 -11.383 -2.655 -1.657 1.00 0.00 N ATOM 740 CA TYR A 46 -10.021 -3.195 -1.586 1.00 0.00 C ATOM 741 C TYR A 46 -9.734 -3.991 -2.854 1.00 0.00 C ATOM 742 O TYR A 46 -8.601 -4.077 -3.325 1.00 0.00 O ATOM 743 CB TYR A 46 -9.915 -4.144 -0.397 1.00 0.00 C ATOM 744 CG TYR A 46 -10.620 -3.650 0.838 1.00 0.00 C ATOM 745 CD1 TYR A 46 -9.964 -2.855 1.766 1.00 0.00 C ATOM 746 CD2 TYR A 46 -11.947 -3.981 1.068 1.00 0.00 C ATOM 747 CE1 TYR A 46 -10.610 -2.403 2.896 1.00 0.00 C ATOM 748 CE2 TYR A 46 -12.603 -3.532 2.196 1.00 0.00 C ATOM 749 CZ TYR A 46 -11.929 -2.745 3.107 1.00 0.00 C ATOM 750 OH TYR A 46 -12.577 -2.297 4.228 1.00 0.00 O ATOM 0 H TYR A 46 -11.977 -2.941 -0.879 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.312 -2.374 -1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.330 -5.112 -0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.862 -4.304 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.931 -2.586 1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.474 -4.598 0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.087 -1.785 3.611 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.637 -3.795 2.365 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.110 -2.620 5.027 1.00 0.00 H new ATOM 760 N GLU A 47 -10.804 -4.601 -3.356 1.00 0.00 N ATOM 761 CA GLU A 47 -10.807 -5.376 -4.588 1.00 0.00 C ATOM 762 C GLU A 47 -10.103 -6.724 -4.433 1.00 0.00 C ATOM 763 O GLU A 47 -10.688 -7.668 -3.902 1.00 0.00 O ATOM 764 CB GLU A 47 -10.229 -4.584 -5.768 1.00 0.00 C ATOM 765 CG GLU A 47 -11.065 -3.374 -6.164 1.00 0.00 C ATOM 766 CD GLU A 47 -12.496 -3.736 -6.509 1.00 0.00 C ATOM 767 OE1 GLU A 47 -12.705 -4.740 -7.225 1.00 0.00 O ATOM 768 OE2 GLU A 47 -13.423 -3.013 -6.082 1.00 0.00 O ATOM 0 H GLU A 47 -11.717 -4.567 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.854 -5.584 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.223 -4.251 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.136 -5.247 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.064 -2.654 -5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.603 -2.883 -7.020 1.00 0.00 H new ATOM 775 N LYS A 48 -8.850 -6.821 -4.872 1.00 0.00 N ATOM 776 CA LYS A 48 -8.174 -8.115 -4.928 1.00 0.00 C ATOM 777 C LYS A 48 -6.722 -8.040 -4.462 1.00 0.00 C ATOM 778 O LYS A 48 -6.434 -8.151 -3.269 1.00 0.00 O ATOM 779 CB LYS A 48 -8.230 -8.691 -6.351 1.00 0.00 C ATOM 780 CG LYS A 48 -9.616 -9.145 -6.784 1.00 0.00 C ATOM 781 CD LYS A 48 -10.072 -10.366 -5.999 1.00 0.00 C ATOM 782 CE LYS A 48 -9.252 -11.598 -6.350 1.00 0.00 C ATOM 783 NZ LYS A 48 -9.555 -12.741 -5.452 1.00 0.00 N ATOM 0 H LYS A 48 -8.289 -6.031 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.706 -8.774 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.872 -7.936 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.546 -9.537 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.328 -8.332 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.608 -9.378 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.988 -10.165 -4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.125 -10.559 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.452 -11.885 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.191 -11.358 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.975 -13.560 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.340 -12.477 -4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.562 -12.988 -5.532 1.00 0.00 H new ATOM 797 N THR A 49 -5.814 -7.845 -5.410 1.00 0.00 N ATOM 798 CA THR A 49 -4.388 -7.913 -5.132 1.00 0.00 C ATOM 799 C THR A 49 -3.690 -6.637 -5.564 1.00 0.00 C ATOM 800 O THR A 49 -4.250 -5.827 -6.305 1.00 0.00 O ATOM 801 CB THR A 49 -3.739 -9.126 -5.840 1.00 0.00 C ATOM 802 OG1 THR A 49 -2.338 -9.208 -5.542 1.00 0.00 O ATOM 803 CG2 THR A 49 -3.944 -9.057 -7.348 1.00 0.00 C ATOM 0 H THR A 49 -6.043 -7.638 -6.382 1.00 0.00 H new ATOM 0 HA THR A 49 -4.272 -8.033 -4.055 1.00 0.00 H new ATOM 0 HB THR A 49 -4.230 -10.023 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.951 -9.983 -6.000 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.477 -9.922 -7.819 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.011 -9.055 -7.570 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.491 -8.145 -7.735 1.00 0.00 H new ATOM 811 N PHE A 50 -2.467 -6.477 -5.094 1.00 0.00 N ATOM 812 CA PHE A 50 -1.676 -5.296 -5.383 1.00 0.00 C ATOM 813 C PHE A 50 -0.219 -5.669 -5.618 1.00 0.00 C ATOM 814 O PHE A 50 0.404 -6.347 -4.795 1.00 0.00 O ATOM 815 CB PHE A 50 -1.761 -4.296 -4.226 1.00 0.00 C ATOM 816 CG PHE A 50 -3.159 -3.856 -3.902 1.00 0.00 C ATOM 817 CD1 PHE A 50 -3.737 -2.790 -4.572 1.00 0.00 C ATOM 818 CD2 PHE A 50 -3.895 -4.510 -2.928 1.00 0.00 C ATOM 819 CE1 PHE A 50 -5.023 -2.385 -4.276 1.00 0.00 C ATOM 820 CE2 PHE A 50 -5.181 -4.110 -2.629 1.00 0.00 C ATOM 821 CZ PHE A 50 -5.745 -3.045 -3.304 1.00 0.00 C ATOM 0 H PHE A 50 -1.995 -7.161 -4.502 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.078 -4.837 -6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.317 -4.745 -3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.163 -3.419 -4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.175 -2.270 -5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.457 -5.342 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.463 -1.552 -4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.746 -4.629 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.751 -2.729 -3.071 1.00 0.00 H new ATOM 831 N ASN A 51 0.314 -5.249 -6.752 1.00 0.00 N ATOM 832 CA ASN A 51 1.736 -5.382 -7.015 1.00 0.00 C ATOM 833 C ASN A 51 2.472 -4.236 -6.336 1.00 0.00 C ATOM 834 O ASN A 51 2.473 -3.102 -6.822 1.00 0.00 O ATOM 835 CB ASN A 51 2.027 -5.390 -8.519 1.00 0.00 C ATOM 836 CG ASN A 51 3.512 -5.284 -8.830 1.00 0.00 C ATOM 837 OD1 ASN A 51 4.043 -4.187 -9.001 1.00 0.00 O ATOM 838 ND2 ASN A 51 4.192 -6.419 -8.920 1.00 0.00 N ATOM 0 H ASN A 51 -0.217 -4.813 -7.506 1.00 0.00 H new ATOM 0 HA ASN A 51 2.083 -6.334 -6.613 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.633 -6.307 -8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.501 -4.560 -8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.188 -6.401 -9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.719 -7.310 -8.772 1.00 0.00 H new ATOM 845 N VAL A 52 3.048 -4.529 -5.187 1.00 0.00 N ATOM 846 CA VAL A 52 3.771 -3.543 -4.411 1.00 0.00 C ATOM 847 C VAL A 52 5.227 -3.510 -4.849 1.00 0.00 C ATOM 848 O VAL A 52 6.036 -4.341 -4.428 1.00 0.00 O ATOM 849 CB VAL A 52 3.695 -3.849 -2.899 1.00 0.00 C ATOM 850 CG1 VAL A 52 4.341 -2.736 -2.087 1.00 0.00 C ATOM 851 CG2 VAL A 52 2.249 -4.060 -2.470 1.00 0.00 C ATOM 0 H VAL A 52 3.028 -5.458 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 52 3.308 -2.572 -4.587 1.00 0.00 H new ATOM 0 HB VAL A 52 4.248 -4.769 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.275 -2.975 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.388 -2.638 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.823 -1.797 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.214 -4.275 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.673 -3.159 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.824 -4.898 -3.023 1.00 0.00 H new ATOM 861 N GLU A 53 5.546 -2.574 -5.724 1.00 0.00 N ATOM 862 CA GLU A 53 6.901 -2.428 -6.217 1.00 0.00 C ATOM 863 C GLU A 53 7.471 -1.099 -5.779 1.00 0.00 C ATOM 864 O GLU A 53 6.916 -0.033 -6.058 1.00 0.00 O ATOM 865 CB GLU A 53 6.940 -2.575 -7.741 1.00 0.00 C ATOM 866 CG GLU A 53 8.343 -2.589 -8.323 1.00 0.00 C ATOM 867 CD GLU A 53 8.359 -2.967 -9.790 1.00 0.00 C ATOM 868 OE1 GLU A 53 8.094 -2.096 -10.640 1.00 0.00 O ATOM 869 OE2 GLU A 53 8.644 -4.142 -10.100 1.00 0.00 O ATOM 0 H GLU A 53 4.882 -1.902 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 53 7.518 -3.220 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.432 -3.498 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.379 -1.755 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.794 -1.604 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.958 -3.293 -7.763 1.00 0.00 H new ATOM 876 N VAL A 54 8.577 -1.185 -5.068 1.00 0.00 N ATOM 877 CA VAL A 54 9.177 -0.028 -4.456 1.00 0.00 C ATOM 878 C VAL A 54 10.676 0.034 -4.774 1.00 0.00 C ATOM 879 O VAL A 54 11.442 -0.860 -4.416 1.00 0.00 O ATOM 880 CB VAL A 54 8.909 -0.039 -2.929 1.00 0.00 C ATOM 881 CG1 VAL A 54 9.625 -1.178 -2.221 1.00 0.00 C ATOM 882 CG2 VAL A 54 9.270 1.288 -2.319 1.00 0.00 C ATOM 0 H VAL A 54 9.080 -2.057 -4.902 1.00 0.00 H new ATOM 0 HA VAL A 54 8.723 0.873 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 54 7.841 -0.208 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.404 -1.140 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.285 -2.130 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.700 -1.082 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.075 1.261 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.327 1.492 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.670 2.074 -2.777 1.00 0.00 H new ATOM 892 N PRO A 55 11.108 1.082 -5.490 1.00 0.00 N ATOM 893 CA PRO A 55 12.502 1.226 -5.920 1.00 0.00 C ATOM 894 C PRO A 55 13.452 1.581 -4.776 1.00 0.00 C ATOM 895 O PRO A 55 14.592 1.119 -4.749 1.00 0.00 O ATOM 896 CB PRO A 55 12.441 2.361 -6.942 1.00 0.00 C ATOM 897 CG PRO A 55 11.247 3.162 -6.560 1.00 0.00 C ATOM 898 CD PRO A 55 10.262 2.196 -5.960 1.00 0.00 C ATOM 0 HA PRO A 55 12.896 0.291 -6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.347 2.966 -6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.348 1.974 -7.957 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.514 3.940 -5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.820 3.662 -7.429 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.705 2.649 -5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.531 1.861 -6.696 1.00 0.00 H new ATOM 906 N GLU A 56 12.977 2.384 -3.828 1.00 0.00 N ATOM 907 CA GLU A 56 13.808 2.837 -2.713 1.00 0.00 C ATOM 908 C GLU A 56 14.246 1.666 -1.829 1.00 0.00 C ATOM 909 O GLU A 56 15.354 1.657 -1.298 1.00 0.00 O ATOM 910 CB GLU A 56 13.054 3.877 -1.879 1.00 0.00 C ATOM 911 CG GLU A 56 11.672 3.422 -1.448 1.00 0.00 C ATOM 912 CD GLU A 56 10.968 4.430 -0.568 1.00 0.00 C ATOM 913 OE1 GLU A 56 10.491 5.453 -1.099 1.00 0.00 O ATOM 914 OE2 GLU A 56 10.881 4.196 0.654 1.00 0.00 O ATOM 0 H GLU A 56 12.020 2.736 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 56 14.705 3.295 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.642 4.116 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.961 4.796 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.065 3.233 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.757 2.476 -0.912 1.00 0.00 H new ATOM 921 N ARG A 57 13.371 0.682 -1.681 1.00 0.00 N ATOM 922 CA ARG A 57 13.673 -0.505 -0.884 1.00 0.00 C ATOM 923 C ARG A 57 14.110 -1.652 -1.788 1.00 0.00 C ATOM 924 O ARG A 57 14.541 -2.700 -1.309 1.00 0.00 O ATOM 925 CB ARG A 57 12.447 -0.936 -0.070 1.00 0.00 C ATOM 926 CG ARG A 57 12.315 -0.285 1.304 1.00 0.00 C ATOM 927 CD ARG A 57 12.339 1.237 1.243 1.00 0.00 C ATOM 928 NE ARG A 57 13.687 1.773 1.438 1.00 0.00 N ATOM 929 CZ ARG A 57 13.941 2.925 2.059 1.00 0.00 C ATOM 930 NH1 ARG A 57 12.949 3.750 2.367 1.00 0.00 N ATOM 931 NH2 ARG A 57 15.191 3.279 2.317 1.00 0.00 N ATOM 0 H ARG A 57 12.442 0.680 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 57 14.484 -0.256 -0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.550 -0.712 -0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.480 -2.018 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.383 -0.610 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.127 -0.631 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.954 1.567 0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.674 1.641 2.007 1.00 0.00 H new ATOM 0 HE ARG A 57 14.476 1.235 1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.988 3.504 2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.147 4.631 2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.961 2.670 2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.384 4.161 2.792 1.00 0.00 H new ATOM 945 N ASP A 58 13.999 -1.421 -3.095 1.00 0.00 N ATOM 946 CA ASP A 58 14.254 -2.441 -4.113 1.00 0.00 C ATOM 947 C ASP A 58 13.454 -3.705 -3.814 1.00 0.00 C ATOM 948 O ASP A 58 14.008 -4.750 -3.468 1.00 0.00 O ATOM 949 CB ASP A 58 15.747 -2.764 -4.225 1.00 0.00 C ATOM 950 CG ASP A 58 16.068 -3.537 -5.489 1.00 0.00 C ATOM 951 OD1 ASP A 58 16.261 -2.894 -6.542 1.00 0.00 O ATOM 952 OD2 ASP A 58 16.129 -4.782 -5.441 1.00 0.00 O ATOM 0 H ASP A 58 13.728 -0.516 -3.481 1.00 0.00 H new ATOM 0 HA ASP A 58 13.930 -2.039 -5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.320 -1.837 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.059 -3.344 -3.356 1.00 0.00 H new ATOM 957 N LEU A 59 12.141 -3.595 -3.922 1.00 0.00 N ATOM 958 CA LEU A 59 11.256 -4.699 -3.584 1.00 0.00 C ATOM 959 C LEU A 59 10.160 -4.833 -4.629 1.00 0.00 C ATOM 960 O LEU A 59 9.448 -3.871 -4.920 1.00 0.00 O ATOM 961 CB LEU A 59 10.635 -4.466 -2.201 1.00 0.00 C ATOM 962 CG LEU A 59 10.489 -5.705 -1.308 1.00 0.00 C ATOM 963 CD1 LEU A 59 9.944 -5.301 0.052 1.00 0.00 C ATOM 964 CD2 LEU A 59 9.582 -6.746 -1.947 1.00 0.00 C ATOM 0 H LEU A 59 11.663 -2.752 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 59 11.836 -5.622 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.242 -3.732 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.648 -4.024 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 59 11.476 -6.152 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.843 -6.186 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.629 -4.597 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.969 -4.831 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.500 -7.611 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.593 -6.317 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.002 -7.057 -2.903 1.00 0.00 H new ATOM 976 N ALA A 60 10.047 -6.018 -5.206 1.00 0.00 N ATOM 977 CA ALA A 60 8.969 -6.323 -6.132 1.00 0.00 C ATOM 978 C ALA A 60 8.117 -7.455 -5.571 1.00 0.00 C ATOM 979 O ALA A 60 8.472 -8.627 -5.689 1.00 0.00 O ATOM 980 CB ALA A 60 9.524 -6.693 -7.500 1.00 0.00 C ATOM 0 H ALA A 60 10.694 -6.790 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 60 8.345 -5.438 -6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.701 -6.918 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.103 -5.858 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.167 -7.568 -7.407 1.00 0.00 H new ATOM 986 N PHE A 61 7.012 -7.101 -4.938 1.00 0.00 N ATOM 987 CA PHE A 61 6.168 -8.078 -4.262 1.00 0.00 C ATOM 988 C PHE A 61 4.720 -7.917 -4.695 1.00 0.00 C ATOM 989 O PHE A 61 4.276 -6.815 -4.981 1.00 0.00 O ATOM 990 CB PHE A 61 6.298 -7.896 -2.744 1.00 0.00 C ATOM 991 CG PHE A 61 5.450 -8.822 -1.915 1.00 0.00 C ATOM 992 CD1 PHE A 61 5.812 -10.147 -1.737 1.00 0.00 C ATOM 993 CD2 PHE A 61 4.292 -8.362 -1.309 1.00 0.00 C ATOM 994 CE1 PHE A 61 5.038 -10.993 -0.971 1.00 0.00 C ATOM 995 CE2 PHE A 61 3.514 -9.205 -0.541 1.00 0.00 C ATOM 996 CZ PHE A 61 3.886 -10.523 -0.374 1.00 0.00 C ATOM 0 H PHE A 61 6.675 -6.140 -4.877 1.00 0.00 H new ATOM 0 HA PHE A 61 6.492 -9.083 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.342 -8.037 -2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.037 -6.868 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.711 -10.522 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.995 -7.332 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.333 -12.023 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.615 -8.833 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.277 -11.186 0.223 1.00 0.00 H new ATOM 1006 N ARG A 62 3.991 -9.013 -4.756 1.00 0.00 N ATOM 1007 CA ARG A 62 2.580 -8.958 -5.092 1.00 0.00 C ATOM 1008 C ARG A 62 1.759 -9.629 -4.002 1.00 0.00 C ATOM 1009 O ARG A 62 1.801 -10.848 -3.835 1.00 0.00 O ATOM 1010 CB ARG A 62 2.323 -9.611 -6.450 1.00 0.00 C ATOM 1011 CG ARG A 62 0.858 -9.632 -6.856 1.00 0.00 C ATOM 1012 CD ARG A 62 0.699 -10.117 -8.282 1.00 0.00 C ATOM 1013 NE ARG A 62 -0.693 -10.397 -8.622 1.00 0.00 N ATOM 1014 CZ ARG A 62 -1.087 -11.470 -9.311 1.00 0.00 C ATOM 1015 NH1 ARG A 62 -0.198 -12.361 -9.740 1.00 0.00 N ATOM 1016 NH2 ARG A 62 -2.371 -11.659 -9.576 1.00 0.00 N ATOM 0 H ARG A 62 4.350 -9.951 -4.578 1.00 0.00 H new ATOM 0 HA ARG A 62 2.276 -7.914 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.893 -9.079 -7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.698 -10.634 -6.427 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.299 -10.282 -6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.435 -8.632 -6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.093 -9.364 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.294 -11.019 -8.425 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.405 -9.734 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.794 -12.227 -9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.508 -13.178 -10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.063 -10.983 -9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.667 -12.481 -10.103 1.00 0.00 H new ATOM 1030 N GLY A 63 1.027 -8.822 -3.255 1.00 0.00 N ATOM 1031 CA GLY A 63 0.266 -9.335 -2.137 1.00 0.00 C ATOM 1032 C GLY A 63 -1.190 -8.939 -2.211 1.00 0.00 C ATOM 1033 O GLY A 63 -1.513 -7.773 -2.437 1.00 0.00 O ATOM 0 H GLY A 63 0.945 -7.816 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.345 -10.422 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.695 -8.964 -1.206 1.00 0.00 H new ATOM 1037 N GLU A 64 -2.072 -9.909 -2.044 1.00 0.00 N ATOM 1038 CA GLU A 64 -3.495 -9.629 -1.976 1.00 0.00 C ATOM 1039 C GLU A 64 -3.928 -9.564 -0.521 1.00 0.00 C ATOM 1040 O GLU A 64 -3.325 -10.209 0.339 1.00 0.00 O ATOM 1041 CB GLU A 64 -4.294 -10.680 -2.751 1.00 0.00 C ATOM 1042 CG GLU A 64 -4.009 -12.108 -2.337 1.00 0.00 C ATOM 1043 CD GLU A 64 -4.597 -13.108 -3.311 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -5.760 -13.518 -3.123 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -3.903 -13.475 -4.282 1.00 0.00 O ATOM 0 H GLU A 64 -1.828 -10.895 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.695 -8.664 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.358 -10.481 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.079 -10.572 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.931 -12.258 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.419 -12.286 -1.343 1.00 0.00 H new ATOM 1052 N MET A 65 -4.952 -8.772 -0.241 1.00 0.00 N ATOM 1053 CA MET A 65 -5.360 -8.530 1.133 1.00 0.00 C ATOM 1054 C MET A 65 -5.859 -9.796 1.804 1.00 0.00 C ATOM 1055 O MET A 65 -6.628 -10.570 1.229 1.00 0.00 O ATOM 1056 CB MET A 65 -6.444 -7.463 1.213 1.00 0.00 C ATOM 1057 CG MET A 65 -5.984 -6.086 0.788 1.00 0.00 C ATOM 1058 SD MET A 65 -7.202 -4.827 1.183 1.00 0.00 S ATOM 1059 CE MET A 65 -6.411 -3.376 0.515 1.00 0.00 C ATOM 0 H MET A 65 -5.512 -8.289 -0.943 1.00 0.00 H new ATOM 0 HA MET A 65 -4.472 -8.179 1.659 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.283 -7.764 0.586 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.814 -7.411 2.237 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.042 -5.849 1.282 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.791 -6.082 -0.285 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.562 -2.535 1.192 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.343 -3.563 0.402 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.843 -3.141 -0.458 1.00 0.00 H new ATOM 1069 N THR A 66 -5.403 -10.000 3.023 1.00 0.00 N ATOM 1070 CA THR A 66 -5.858 -11.102 3.839 1.00 0.00 C ATOM 1071 C THR A 66 -6.990 -10.639 4.739 1.00 0.00 C ATOM 1072 O THR A 66 -7.712 -11.445 5.330 1.00 0.00 O ATOM 1073 CB THR A 66 -4.711 -11.640 4.707 1.00 0.00 C ATOM 1074 OG1 THR A 66 -4.223 -10.600 5.566 1.00 0.00 O ATOM 1075 CG2 THR A 66 -3.574 -12.155 3.835 1.00 0.00 C ATOM 0 H THR A 66 -4.707 -9.406 3.474 1.00 0.00 H new ATOM 0 HA THR A 66 -6.209 -11.897 3.181 1.00 0.00 H new ATOM 0 HB THR A 66 -5.091 -12.465 5.310 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.879 -10.424 6.272 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.771 -12.532 4.469 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.940 -12.959 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.195 -11.343 3.214 1.00 0.00 H new ATOM 1083 N ASN A 67 -7.135 -9.324 4.823 1.00 0.00 N ATOM 1084 CA ASN A 67 -8.071 -8.708 5.746 1.00 0.00 C ATOM 1085 C ASN A 67 -9.110 -7.911 4.979 1.00 0.00 C ATOM 1086 O ASN A 67 -8.767 -7.093 4.126 1.00 0.00 O ATOM 1087 CB ASN A 67 -7.331 -7.778 6.717 1.00 0.00 C ATOM 1088 CG ASN A 67 -6.119 -8.433 7.357 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -6.083 -9.645 7.569 1.00 0.00 O ATOM 1090 ND2 ASN A 67 -5.112 -7.636 7.671 1.00 0.00 N ATOM 0 H ASN A 67 -6.609 -8.659 4.256 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.565 -9.497 6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.014 -6.882 6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.019 -7.456 7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.272 -8.021 8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.175 -6.636 7.481 1.00 0.00 H new ATOM 1097 N TYR A 68 -10.374 -8.161 5.271 1.00 0.00 N ATOM 1098 CA TYR A 68 -11.458 -7.419 4.652 1.00 0.00 C ATOM 1099 C TYR A 68 -12.373 -6.845 5.721 1.00 0.00 C ATOM 1100 O TYR A 68 -13.132 -7.575 6.363 1.00 0.00 O ATOM 1101 CB TYR A 68 -12.252 -8.308 3.688 1.00 0.00 C ATOM 1102 CG TYR A 68 -11.478 -8.705 2.448 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -11.300 -7.806 1.402 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -10.921 -9.972 2.323 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -10.594 -8.159 0.268 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -10.212 -10.332 1.192 1.00 0.00 C ATOM 1107 CZ TYR A 68 -10.053 -9.422 0.167 1.00 0.00 C ATOM 1108 OH TYR A 68 -9.350 -9.777 -0.965 1.00 0.00 O ATOM 0 H TYR A 68 -10.676 -8.874 5.935 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.029 -6.599 4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -12.565 -9.210 4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -13.159 -7.783 3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.721 -6.814 1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -11.044 -10.687 3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.467 -7.448 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.785 -11.321 1.111 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.034 -10.700 -0.877 1.00 0.00 H new ATOM 1118 N SER A 69 -12.267 -5.548 5.934 1.00 0.00 N ATOM 1119 CA SER A 69 -13.085 -4.862 6.911 1.00 0.00 C ATOM 1120 C SER A 69 -14.238 -4.138 6.219 1.00 0.00 C ATOM 1121 O SER A 69 -14.554 -4.419 5.061 1.00 0.00 O ATOM 1122 CB SER A 69 -12.215 -3.883 7.705 1.00 0.00 C ATOM 1123 OG SER A 69 -11.399 -3.109 6.841 1.00 0.00 O ATOM 0 H SER A 69 -11.614 -4.943 5.436 1.00 0.00 H new ATOM 0 HA SER A 69 -13.514 -5.587 7.603 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.851 -3.224 8.297 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.588 -4.435 8.405 1.00 0.00 H new ATOM 0 HG SER A 69 -10.999 -2.369 7.344 1.00 0.00 H new ATOM 1129 N THR A 70 -14.875 -3.226 6.930 1.00 0.00 N ATOM 1130 CA THR A 70 -15.970 -2.462 6.369 1.00 0.00 C ATOM 1131 C THR A 70 -15.566 -1.009 6.121 1.00 0.00 C ATOM 1132 O THR A 70 -15.976 -0.097 6.843 1.00 0.00 O ATOM 1133 CB THR A 70 -17.210 -2.527 7.276 1.00 0.00 C ATOM 1134 OG1 THR A 70 -16.827 -2.347 8.650 1.00 0.00 O ATOM 1135 CG2 THR A 70 -17.927 -3.859 7.110 1.00 0.00 C ATOM 0 H THR A 70 -14.651 -2.997 7.899 1.00 0.00 H new ATOM 0 HA THR A 70 -16.222 -2.911 5.408 1.00 0.00 H new ATOM 0 HB THR A 70 -17.890 -1.727 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.623 -2.388 9.220 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.801 -3.885 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.242 -3.976 6.073 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.252 -4.672 7.378 1.00 0.00 H new ATOM 1143 N SER A 71 -14.722 -0.811 5.119 1.00 0.00 N ATOM 1144 CA SER A 71 -14.317 0.520 4.694 1.00 0.00 C ATOM 1145 C SER A 71 -14.328 0.601 3.169 1.00 0.00 C ATOM 1146 O SER A 71 -13.374 0.198 2.500 1.00 0.00 O ATOM 1147 CB SER A 71 -12.928 0.854 5.242 1.00 0.00 C ATOM 1148 OG SER A 71 -12.910 0.773 6.658 1.00 0.00 O ATOM 0 H SER A 71 -14.300 -1.567 4.579 1.00 0.00 H new ATOM 0 HA SER A 71 -15.023 1.250 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.193 0.166 4.825 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.640 1.857 4.927 1.00 0.00 H new ATOM 0 HG SER A 71 -12.662 1.644 7.032 1.00 0.00 H new ATOM 1154 N LEU A 72 -15.425 1.103 2.629 1.00 0.00 N ATOM 1155 CA LEU A 72 -15.633 1.140 1.187 1.00 0.00 C ATOM 1156 C LEU A 72 -15.106 2.441 0.594 1.00 0.00 C ATOM 1157 O LEU A 72 -15.891 3.281 0.173 1.00 0.00 O ATOM 1158 CB LEU A 72 -17.126 0.999 0.847 1.00 0.00 C ATOM 1159 CG LEU A 72 -17.779 -0.362 1.144 1.00 0.00 C ATOM 1160 CD1 LEU A 72 -17.902 -0.619 2.639 1.00 0.00 C ATOM 1161 CD2 LEU A 72 -19.147 -0.441 0.484 1.00 0.00 C ATOM 0 H LEU A 72 -16.194 1.495 3.172 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.085 0.302 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.673 1.765 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -17.255 1.213 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.132 -1.135 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -18.368 -1.590 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.911 -0.610 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -18.515 0.159 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -19.600 -1.408 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.785 0.353 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -19.038 -0.325 -0.594 1.00 0.00 H new ATOM 1173 N THR A 73 -13.786 2.617 0.583 1.00 0.00 N ATOM 1174 CA THR A 73 -13.169 3.836 0.054 1.00 0.00 C ATOM 1175 C THR A 73 -11.657 3.657 -0.120 1.00 0.00 C ATOM 1176 O THR A 73 -10.951 3.437 0.868 1.00 0.00 O ATOM 1177 CB THR A 73 -13.411 5.046 0.992 1.00 0.00 C ATOM 1178 OG1 THR A 73 -14.805 5.366 1.070 1.00 0.00 O ATOM 1179 CG2 THR A 73 -12.650 6.263 0.517 1.00 0.00 C ATOM 0 H THR A 73 -13.120 1.930 0.935 1.00 0.00 H new ATOM 0 HA THR A 73 -13.633 4.027 -0.913 1.00 0.00 H new ATOM 0 HB THR A 73 -13.052 4.763 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.325 4.675 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.838 7.097 1.193 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.583 6.042 0.502 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.980 6.529 -0.487 1.00 0.00 H new ATOM 1187 N ASN A 74 -11.161 3.754 -1.366 1.00 0.00 N ATOM 1188 CA ASN A 74 -9.716 3.682 -1.620 1.00 0.00 C ATOM 1189 C ASN A 74 -9.351 3.799 -3.109 1.00 0.00 C ATOM 1190 O ASN A 74 -10.220 3.905 -3.971 1.00 0.00 O ATOM 1191 CB ASN A 74 -9.142 2.369 -1.073 1.00 0.00 C ATOM 1192 CG ASN A 74 -9.789 1.127 -1.658 1.00 0.00 C ATOM 1193 OD1 ASN A 74 -9.835 0.066 -0.870 1.00 0.00 O flip ATOM 1194 ND2 ASN A 74 -10.240 1.117 -2.797 1.00 0.00 N flip ATOM 0 H ASN A 74 -11.733 3.881 -2.201 1.00 0.00 H new ATOM 0 HA ASN A 74 -9.280 4.538 -1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.071 2.339 -1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.262 2.354 0.010 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.186 1.956 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.670 0.270 -3.168 1.00 0.00 H new ATOM 1201 N LEU A 75 -8.031 3.847 -3.360 1.00 0.00 N ATOM 1202 CA LEU A 75 -7.425 3.601 -4.686 1.00 0.00 C ATOM 1203 C LEU A 75 -7.846 4.570 -5.798 1.00 0.00 C ATOM 1204 O LEU A 75 -7.726 4.231 -6.973 1.00 0.00 O ATOM 1205 CB LEU A 75 -7.702 2.160 -5.136 1.00 0.00 C ATOM 1206 CG LEU A 75 -6.645 1.121 -4.733 1.00 0.00 C ATOM 1207 CD1 LEU A 75 -5.287 1.483 -5.315 1.00 0.00 C ATOM 1208 CD2 LEU A 75 -6.554 0.987 -3.221 1.00 0.00 C ATOM 0 H LEU A 75 -7.343 4.061 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.359 3.774 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.664 1.850 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.799 2.150 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.953 0.158 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.553 0.734 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.354 1.514 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.980 2.460 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.798 0.245 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.280 1.948 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.519 0.672 -2.825 1.00 0.00 H new ATOM 1220 N TYR A 76 -8.291 5.772 -5.462 1.00 0.00 N ATOM 1221 CA TYR A 76 -8.633 6.749 -6.501 1.00 0.00 C ATOM 1222 C TYR A 76 -8.400 8.185 -6.051 1.00 0.00 C ATOM 1223 O TYR A 76 -9.006 9.111 -6.592 1.00 0.00 O ATOM 1224 CB TYR A 76 -10.090 6.583 -6.941 1.00 0.00 C ATOM 1225 CG TYR A 76 -10.262 5.762 -8.202 1.00 0.00 C ATOM 1226 CD1 TYR A 76 -9.894 6.276 -9.439 1.00 0.00 C ATOM 1227 CD2 TYR A 76 -10.789 4.480 -8.156 1.00 0.00 C ATOM 1228 CE1 TYR A 76 -10.048 5.535 -10.594 1.00 0.00 C ATOM 1229 CE2 TYR A 76 -10.947 3.732 -9.307 1.00 0.00 C ATOM 1230 CZ TYR A 76 -10.575 4.264 -10.523 1.00 0.00 C ATOM 1231 OH TYR A 76 -10.737 3.525 -11.672 1.00 0.00 O ATOM 0 H TYR A 76 -8.424 6.095 -4.504 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.969 6.551 -7.342 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.651 6.112 -6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.526 7.569 -7.099 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.480 7.272 -9.498 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.081 4.059 -7.205 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.757 5.950 -11.548 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.360 2.735 -9.254 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.119 2.651 -11.448 1.00 0.00 H new ATOM 1241 N GLU A 77 -7.505 8.387 -5.097 1.00 0.00 N ATOM 1242 CA GLU A 77 -7.285 9.723 -4.568 1.00 0.00 C ATOM 1243 C GLU A 77 -5.805 10.020 -4.354 1.00 0.00 C ATOM 1244 O GLU A 77 -5.148 9.378 -3.539 1.00 0.00 O ATOM 1245 CB GLU A 77 -8.035 9.897 -3.252 1.00 0.00 C ATOM 1246 CG GLU A 77 -7.966 11.311 -2.709 1.00 0.00 C ATOM 1247 CD GLU A 77 -8.648 12.308 -3.618 1.00 0.00 C ATOM 1248 OE1 GLU A 77 -9.883 12.436 -3.530 1.00 0.00 O ATOM 1249 OE2 GLU A 77 -7.952 12.979 -4.406 1.00 0.00 O ATOM 0 H GLU A 77 -6.928 7.657 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.664 10.429 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.079 9.621 -3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.623 9.210 -2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.432 11.343 -1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.922 11.597 -2.578 1.00 0.00 H new ATOM 1256 N PRO A 78 -5.263 10.982 -5.113 1.00 0.00 N ATOM 1257 CA PRO A 78 -3.934 11.527 -4.876 1.00 0.00 C ATOM 1258 C PRO A 78 -3.963 12.791 -4.003 1.00 0.00 C ATOM 1259 O PRO A 78 -2.920 13.388 -3.727 1.00 0.00 O ATOM 1260 CB PRO A 78 -3.473 11.863 -6.290 1.00 0.00 C ATOM 1261 CG PRO A 78 -4.721 12.227 -7.032 1.00 0.00 C ATOM 1262 CD PRO A 78 -5.879 11.574 -6.310 1.00 0.00 C ATOM 0 HA PRO A 78 -3.285 10.837 -4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.762 12.689 -6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.973 11.013 -6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.848 13.309 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.669 11.883 -8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.646 12.302 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.359 10.816 -6.929 1.00 0.00 H new ATOM 1270 N GLY A 79 -5.162 13.201 -3.585 1.00 0.00 N ATOM 1271 CA GLY A 79 -5.309 14.405 -2.776 1.00 0.00 C ATOM 1272 C GLY A 79 -5.116 14.145 -1.295 1.00 0.00 C ATOM 1273 O GLY A 79 -4.490 13.155 -0.913 1.00 0.00 O ATOM 0 H GLY A 79 -6.037 12.719 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.585 15.150 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.300 14.828 -2.940 1.00 0.00 H new ATOM 1277 N ALA A 80 -5.653 15.029 -0.455 1.00 0.00 N ATOM 1278 CA ALA A 80 -5.480 14.903 0.986 1.00 0.00 C ATOM 1279 C ALA A 80 -6.692 15.414 1.764 1.00 0.00 C ATOM 1280 O ALA A 80 -6.793 16.612 2.029 1.00 0.00 O ATOM 1281 CB ALA A 80 -4.226 15.642 1.434 1.00 0.00 C ATOM 0 H ALA A 80 -6.207 15.834 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.376 13.840 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.109 15.539 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.356 15.219 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.315 16.698 1.177 1.00 0.00 H new ATOM 1287 N VAL A 81 -7.621 14.512 2.115 1.00 0.00 N ATOM 1288 CA VAL A 81 -8.780 14.887 2.936 1.00 0.00 C ATOM 1289 C VAL A 81 -9.169 13.807 3.962 1.00 0.00 C ATOM 1290 O VAL A 81 -8.699 13.823 5.096 1.00 0.00 O ATOM 1291 CB VAL A 81 -10.010 15.245 2.081 1.00 0.00 C ATOM 1292 CG1 VAL A 81 -11.227 15.525 2.952 1.00 0.00 C ATOM 1293 CG2 VAL A 81 -9.696 16.453 1.238 1.00 0.00 C ATOM 0 H VAL A 81 -7.593 13.528 1.846 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.459 15.773 3.484 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.244 14.395 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.078 15.775 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.462 14.640 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.013 16.361 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.565 16.709 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.445 17.293 1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.851 16.232 0.586 1.00 0.00 H new ATOM 1303 N SER A 82 -10.005 12.863 3.546 1.00 0.00 N ATOM 1304 CA SER A 82 -10.654 11.929 4.463 1.00 0.00 C ATOM 1305 C SER A 82 -9.810 10.682 4.728 1.00 0.00 C ATOM 1306 O SER A 82 -9.568 9.889 3.823 1.00 0.00 O ATOM 1307 CB SER A 82 -12.007 11.513 3.884 1.00 0.00 C ATOM 1308 OG SER A 82 -12.856 12.637 3.726 1.00 0.00 O ATOM 0 H SER A 82 -10.253 12.722 2.567 1.00 0.00 H new ATOM 0 HA SER A 82 -10.782 12.442 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.860 11.025 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.480 10.784 4.542 1.00 0.00 H new ATOM 0 HG SER A 82 -13.715 12.348 3.353 1.00 0.00 H new ATOM 1314 N GLU A 83 -9.402 10.493 5.977 1.00 0.00 N ATOM 1315 CA GLU A 83 -8.506 9.399 6.335 1.00 0.00 C ATOM 1316 C GLU A 83 -9.166 8.028 6.164 1.00 0.00 C ATOM 1317 O GLU A 83 -10.047 7.648 6.934 1.00 0.00 O ATOM 1318 CB GLU A 83 -8.022 9.543 7.781 1.00 0.00 C ATOM 1319 CG GLU A 83 -7.318 10.857 8.083 1.00 0.00 C ATOM 1320 CD GLU A 83 -8.274 11.984 8.420 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -9.500 11.745 8.474 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -7.802 13.112 8.650 1.00 0.00 O ATOM 0 H GLU A 83 -9.678 11.084 6.761 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.658 9.459 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.878 9.442 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.343 8.721 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.631 10.710 8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.716 11.145 7.221 1.00 0.00 H new ATOM 1329 N PHE A 84 -8.740 7.308 5.140 1.00 0.00 N ATOM 1330 CA PHE A 84 -9.098 5.907 4.963 1.00 0.00 C ATOM 1331 C PHE A 84 -7.838 5.064 4.995 1.00 0.00 C ATOM 1332 O PHE A 84 -6.756 5.596 5.225 1.00 0.00 O ATOM 1333 CB PHE A 84 -9.858 5.707 3.660 1.00 0.00 C ATOM 1334 CG PHE A 84 -11.333 5.915 3.829 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -12.151 4.869 4.226 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -11.898 7.158 3.612 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -13.508 5.063 4.401 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -13.253 7.357 3.780 1.00 0.00 C ATOM 1339 CZ PHE A 84 -14.059 6.310 4.175 1.00 0.00 C ATOM 0 H PHE A 84 -8.135 7.677 4.406 1.00 0.00 H new ATOM 0 HA PHE A 84 -9.755 5.595 5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.478 6.400 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.675 4.700 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.724 3.893 4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.271 7.983 3.307 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -14.136 4.242 4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -13.682 8.332 3.602 1.00 0.00 H new ATOM 0 HZ PHE A 84 -15.120 6.464 4.308 1.00 0.00 H new ATOM 1349 N TYR A 85 -7.944 3.765 4.761 1.00 0.00 N ATOM 1350 CA TYR A 85 -6.769 2.913 4.879 1.00 0.00 C ATOM 1351 C TYR A 85 -6.837 1.674 3.996 1.00 0.00 C ATOM 1352 O TYR A 85 -7.892 1.064 3.815 1.00 0.00 O ATOM 1353 CB TYR A 85 -6.529 2.516 6.338 1.00 0.00 C ATOM 1354 CG TYR A 85 -7.549 1.560 6.891 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -8.841 1.977 7.157 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -7.215 0.238 7.143 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -9.775 1.105 7.660 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -8.145 -0.642 7.647 1.00 0.00 C ATOM 1359 CZ TYR A 85 -9.426 -0.206 7.906 1.00 0.00 C ATOM 1360 OH TYR A 85 -10.358 -1.082 8.416 1.00 0.00 O ATOM 0 H TYR A 85 -8.805 3.287 4.496 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.925 3.505 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.541 2.064 6.422 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.521 3.417 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.119 3.003 6.966 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.211 -0.106 6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -10.780 1.445 7.862 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.872 -1.669 7.839 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.254 -0.697 8.323 1.00 0.00 H new ATOM 1370 N ILE A 86 -5.686 1.345 3.434 1.00 0.00 N ATOM 1371 CA ILE A 86 -5.476 0.121 2.672 1.00 0.00 C ATOM 1372 C ILE A 86 -4.520 -0.756 3.476 1.00 0.00 C ATOM 1373 O ILE A 86 -3.340 -0.416 3.617 1.00 0.00 O ATOM 1374 CB ILE A 86 -4.860 0.424 1.277 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -5.912 0.986 0.319 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -4.218 -0.813 0.671 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -6.422 2.357 0.694 1.00 0.00 C ATOM 0 H ILE A 86 -4.854 1.931 3.495 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.430 -0.379 2.506 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.085 1.176 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.487 1.031 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.755 0.296 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.798 -0.564 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.425 -1.170 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.970 -1.593 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.164 2.682 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.879 2.317 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.592 3.063 0.706 1.00 0.00 H new ATOM 1389 N GLU A 87 -5.028 -1.833 4.056 1.00 0.00 N ATOM 1390 CA GLU A 87 -4.192 -2.698 4.874 1.00 0.00 C ATOM 1391 C GLU A 87 -3.848 -3.982 4.131 1.00 0.00 C ATOM 1392 O GLU A 87 -4.718 -4.802 3.834 1.00 0.00 O ATOM 1393 CB GLU A 87 -4.872 -3.020 6.210 1.00 0.00 C ATOM 1394 CG GLU A 87 -3.969 -3.785 7.167 1.00 0.00 C ATOM 1395 CD GLU A 87 -4.581 -3.980 8.538 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -4.642 -3.002 9.309 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -4.974 -5.120 8.865 1.00 0.00 O ATOM 0 H GLU A 87 -6.002 -2.126 3.977 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.266 -2.162 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.190 -2.091 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.772 -3.606 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.738 -4.760 6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.025 -3.251 7.271 1.00 0.00 H new ATOM 1404 N ILE A 88 -2.571 -4.138 3.825 1.00 0.00 N ATOM 1405 CA ILE A 88 -2.078 -5.316 3.137 1.00 0.00 C ATOM 1406 C ILE A 88 -1.016 -5.991 3.992 1.00 0.00 C ATOM 1407 O ILE A 88 -0.374 -5.349 4.822 1.00 0.00 O ATOM 1408 CB ILE A 88 -1.458 -4.954 1.766 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -2.359 -3.982 1.004 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -1.220 -6.211 0.933 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -1.735 -3.451 -0.269 1.00 0.00 C ATOM 0 H ILE A 88 -1.849 -3.452 4.047 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.922 -5.986 2.970 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.499 -4.469 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.295 -4.483 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.608 -3.143 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.784 -5.934 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.538 -6.875 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.168 -6.722 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.430 -2.768 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.813 -2.921 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.512 -4.282 -0.939 1.00 0.00 H new ATOM 1423 N THR A 89 -0.841 -7.279 3.802 1.00 0.00 N ATOM 1424 CA THR A 89 0.215 -8.003 4.466 1.00 0.00 C ATOM 1425 C THR A 89 0.709 -9.098 3.534 1.00 0.00 C ATOM 1426 O THR A 89 0.187 -9.253 2.428 1.00 0.00 O ATOM 1427 CB THR A 89 -0.256 -8.602 5.816 1.00 0.00 C ATOM 1428 OG1 THR A 89 0.868 -9.046 6.594 1.00 0.00 O ATOM 1429 CG2 THR A 89 -1.207 -9.767 5.599 1.00 0.00 C ATOM 0 H THR A 89 -1.422 -7.849 3.188 1.00 0.00 H new ATOM 0 HA THR A 89 1.027 -7.313 4.697 1.00 0.00 H new ATOM 0 HB THR A 89 -0.782 -7.814 6.356 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.676 -8.577 6.299 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.520 -10.166 6.564 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.082 -9.424 5.047 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.702 -10.548 5.030 1.00 0.00 H new ATOM 1437 N GLU A 90 1.731 -9.815 3.966 1.00 0.00 N ATOM 1438 CA GLU A 90 2.269 -10.930 3.210 1.00 0.00 C ATOM 1439 C GLU A 90 1.147 -11.866 2.764 1.00 0.00 C ATOM 1440 O GLU A 90 0.356 -12.345 3.581 1.00 0.00 O ATOM 1441 CB GLU A 90 3.283 -11.667 4.074 1.00 0.00 C ATOM 1442 CG GLU A 90 3.958 -12.839 3.394 1.00 0.00 C ATOM 1443 CD GLU A 90 4.846 -13.587 4.360 1.00 0.00 C ATOM 1444 OE1 GLU A 90 4.308 -14.156 5.333 1.00 0.00 O ATOM 1445 OE2 GLU A 90 6.080 -13.564 4.181 1.00 0.00 O ATOM 0 H GLU A 90 2.210 -9.641 4.849 1.00 0.00 H new ATOM 0 HA GLU A 90 2.764 -10.560 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.048 -10.960 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.782 -12.025 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.203 -13.514 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.550 -12.483 2.551 1.00 0.00 H new ATOM 1452 N ILE A 91 1.096 -12.094 1.458 1.00 0.00 N ATOM 1453 CA ILE A 91 0.023 -12.846 0.822 1.00 0.00 C ATOM 1454 C ILE A 91 -0.090 -14.276 1.363 1.00 0.00 C ATOM 1455 O ILE A 91 0.896 -14.858 1.828 1.00 0.00 O ATOM 1456 CB ILE A 91 0.242 -12.877 -0.711 1.00 0.00 C ATOM 1457 CG1 ILE A 91 -0.868 -13.661 -1.420 1.00 0.00 C ATOM 1458 CG2 ILE A 91 1.609 -13.461 -1.044 1.00 0.00 C ATOM 1459 CD1 ILE A 91 -0.715 -13.710 -2.925 1.00 0.00 C ATOM 0 H ILE A 91 1.804 -11.759 0.805 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.913 -12.338 1.055 1.00 0.00 H new ATOM 0 HB ILE A 91 0.205 -11.850 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.885 -14.680 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.830 -13.211 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.745 -13.475 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.387 -12.849 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.674 -14.478 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.537 -14.281 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.729 -12.696 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.231 -14.188 -3.179 1.00 0.00 H new ATOM 1471 N ASP A 92 -1.319 -14.802 1.311 1.00 0.00 N ATOM 1472 CA ASP A 92 -1.633 -16.197 1.642 1.00 0.00 C ATOM 1473 C ASP A 92 -1.761 -16.412 3.126 1.00 0.00 C ATOM 1474 O ASP A 92 -1.648 -15.485 3.929 1.00 0.00 O ATOM 1475 CB ASP A 92 -0.573 -17.161 1.128 1.00 0.00 C ATOM 1476 CG ASP A 92 -1.148 -18.472 0.641 1.00 0.00 C ATOM 1477 OD1 ASP A 92 -1.365 -19.373 1.476 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -1.365 -18.611 -0.577 1.00 0.00 O ATOM 0 H ASP A 92 -2.138 -14.261 1.033 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.586 -16.398 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.024 -16.687 0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.145 -17.360 1.924 1.00 0.00 H new ATOM 1483 N LYS A 93 -2.022 -17.653 3.478 1.00 0.00 N ATOM 1484 CA LYS A 93 -2.045 -18.049 4.858 1.00 0.00 C ATOM 1485 C LYS A 93 -0.913 -19.016 5.146 1.00 0.00 C ATOM 1486 O LYS A 93 -0.927 -19.732 6.145 1.00 0.00 O ATOM 1487 CB LYS A 93 -3.384 -18.681 5.250 1.00 0.00 C ATOM 1488 CG LYS A 93 -4.500 -17.692 5.580 1.00 0.00 C ATOM 1489 CD LYS A 93 -5.142 -17.095 4.335 1.00 0.00 C ATOM 1490 CE LYS A 93 -4.844 -15.609 4.202 1.00 0.00 C ATOM 1491 NZ LYS A 93 -5.262 -14.840 5.405 1.00 0.00 N ATOM 0 H LYS A 93 -2.222 -18.405 2.818 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.915 -17.148 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.718 -19.321 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.224 -19.325 6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.264 -18.196 6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.098 -16.889 6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.778 -17.619 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.221 -17.247 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.776 -15.468 4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.357 -15.215 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.759 -13.975 5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.898 -15.423 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.422 -14.583 5.962 1.00 0.00 H new ATOM 1505 N ASN A 94 0.064 -19.022 4.259 1.00 0.00 N ATOM 1506 CA ASN A 94 1.226 -19.898 4.384 1.00 0.00 C ATOM 1507 C ASN A 94 1.912 -19.698 5.734 1.00 0.00 C ATOM 1508 O ASN A 94 2.310 -20.658 6.395 1.00 0.00 O ATOM 1509 CB ASN A 94 2.218 -19.631 3.252 1.00 0.00 C ATOM 1510 CG ASN A 94 3.305 -20.683 3.186 1.00 0.00 C ATOM 1511 OD1 ASN A 94 4.346 -20.564 3.834 1.00 0.00 O ATOM 1512 ND2 ASN A 94 3.072 -21.714 2.395 1.00 0.00 N ATOM 0 H ASN A 94 0.080 -18.424 3.433 1.00 0.00 H new ATOM 0 HA ASN A 94 0.881 -20.930 4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 94 1.684 -19.602 2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 94 2.672 -18.650 3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.769 -22.453 2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 94 2.195 -21.771 1.877 1.00 0.00 H new ATOM 1519 N ALA A 95 2.027 -18.446 6.144 1.00 0.00 N ATOM 1520 CA ALA A 95 2.604 -18.112 7.438 1.00 0.00 C ATOM 1521 C ALA A 95 1.501 -17.779 8.440 1.00 0.00 C ATOM 1522 O ALA A 95 1.729 -17.065 9.420 1.00 0.00 O ATOM 1523 CB ALA A 95 3.570 -16.944 7.293 1.00 0.00 C ATOM 0 H ALA A 95 1.727 -17.639 5.597 1.00 0.00 H new ATOM 0 HA ALA A 95 3.156 -18.974 7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.996 -16.702 8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.370 -17.217 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.036 -16.077 6.904 1.00 0.00 H new ATOM 1529 N ASP A 96 0.313 -18.333 8.188 1.00 0.00 N ATOM 1530 CA ASP A 96 -0.892 -18.048 8.972 1.00 0.00 C ATOM 1531 C ASP A 96 -1.238 -16.563 8.875 1.00 0.00 C ATOM 1532 O ASP A 96 -0.744 -15.859 7.987 1.00 0.00 O ATOM 1533 CB ASP A 96 -0.715 -18.481 10.435 1.00 0.00 C ATOM 1534 CG ASP A 96 -2.037 -18.755 11.136 1.00 0.00 C ATOM 1535 OD1 ASP A 96 -2.623 -17.810 11.702 1.00 0.00 O ATOM 1536 OD2 ASP A 96 -2.493 -19.916 11.127 1.00 0.00 O ATOM 0 H ASP A 96 0.158 -18.997 7.429 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.720 -18.625 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.098 -19.379 10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.177 -17.703 10.976 1.00 0.00 H new ATOM 1541 N SER A 97 -2.110 -16.090 9.749 1.00 0.00 N ATOM 1542 CA SER A 97 -2.532 -14.712 9.729 1.00 0.00 C ATOM 1543 C SER A 97 -2.802 -14.195 11.140 1.00 0.00 C ATOM 1544 O SER A 97 -3.467 -13.175 11.324 1.00 0.00 O ATOM 1545 CB SER A 97 -3.783 -14.596 8.869 1.00 0.00 C ATOM 1546 OG SER A 97 -3.507 -14.946 7.519 1.00 0.00 O ATOM 0 H SER A 97 -2.539 -16.651 10.485 1.00 0.00 H new ATOM 0 HA SER A 97 -1.734 -14.100 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.563 -15.247 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.166 -13.576 8.913 1.00 0.00 H new ATOM 0 HG SER A 97 -2.554 -15.151 7.423 1.00 0.00 H new ATOM 1552 N LEU A 98 -2.261 -14.890 12.124 1.00 0.00 N ATOM 1553 CA LEU A 98 -2.462 -14.524 13.518 1.00 0.00 C ATOM 1554 C LEU A 98 -1.193 -13.896 14.084 1.00 0.00 C ATOM 1555 O LEU A 98 -0.087 -14.389 13.849 1.00 0.00 O ATOM 1556 CB LEU A 98 -2.859 -15.762 14.333 1.00 0.00 C ATOM 1557 CG LEU A 98 -3.944 -15.548 15.400 1.00 0.00 C ATOM 1558 CD1 LEU A 98 -3.458 -14.624 16.508 1.00 0.00 C ATOM 1559 CD2 LEU A 98 -5.213 -14.997 14.764 1.00 0.00 C ATOM 0 H LEU A 98 -1.677 -15.714 11.985 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.267 -13.792 13.581 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.204 -16.532 13.642 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.967 -16.151 14.824 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.168 -16.516 15.848 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.249 -14.494 17.246 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.582 -15.061 16.988 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.194 -13.655 16.084 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.972 -14.851 15.533 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.995 -14.043 14.284 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.582 -15.702 14.019 1.00 0.00 H new ATOM 1571 N GLU A 99 -1.358 -12.800 14.814 1.00 0.00 N ATOM 1572 CA GLU A 99 -0.237 -12.105 15.434 1.00 0.00 C ATOM 1573 C GLU A 99 0.372 -12.959 16.543 1.00 0.00 C ATOM 1574 O GLU A 99 -0.348 -13.548 17.352 1.00 0.00 O ATOM 1575 CB GLU A 99 -0.702 -10.764 16.006 1.00 0.00 C ATOM 1576 CG GLU A 99 -1.410 -9.878 14.995 1.00 0.00 C ATOM 1577 CD GLU A 99 -1.925 -8.592 15.608 1.00 0.00 C ATOM 1578 OE1 GLU A 99 -2.875 -8.653 16.419 1.00 0.00 O ATOM 1579 OE2 GLU A 99 -1.385 -7.513 15.286 1.00 0.00 O ATOM 0 H GLU A 99 -2.266 -12.370 14.992 1.00 0.00 H new ATOM 0 HA GLU A 99 0.523 -11.925 14.673 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.373 -10.950 16.844 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.162 -10.229 16.402 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.724 -9.640 14.183 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.244 -10.427 14.557 1.00 0.00 H new ATOM 1586 N HIS A 100 1.697 -13.032 16.579 1.00 0.00 N ATOM 1587 CA HIS A 100 2.387 -13.809 17.605 1.00 0.00 C ATOM 1588 C HIS A 100 2.559 -12.974 18.870 1.00 0.00 C ATOM 1589 O HIS A 100 3.633 -12.429 19.117 1.00 0.00 O ATOM 1590 CB HIS A 100 3.757 -14.297 17.110 1.00 0.00 C ATOM 1591 CG HIS A 100 3.698 -15.219 15.927 1.00 0.00 C ATOM 1592 ND1 HIS A 100 2.700 -16.151 15.744 1.00 0.00 N ATOM 1593 CD2 HIS A 100 4.526 -15.347 14.862 1.00 0.00 C ATOM 1594 CE1 HIS A 100 2.914 -16.809 14.621 1.00 0.00 C ATOM 1595 NE2 HIS A 100 4.016 -16.343 14.064 1.00 0.00 N ATOM 0 H HIS A 100 2.314 -12.566 15.914 1.00 0.00 H new ATOM 0 HA HIS A 100 1.776 -14.683 17.829 1.00 0.00 H new ATOM 0 HB2 HIS A 100 4.365 -13.431 16.850 1.00 0.00 H new ATOM 0 HB3 HIS A 100 4.264 -14.808 17.928 1.00 0.00 H new ATOM 0 HD2 HIS A 100 5.421 -14.773 14.675 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.292 -17.597 14.224 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.422 -16.668 13.187 1.00 0.00 H new ATOM 1604 N HIS A 101 1.475 -12.864 19.640 1.00 0.00 N ATOM 1605 CA HIS A 101 1.442 -12.060 20.865 1.00 0.00 C ATOM 1606 C HIS A 101 1.951 -10.645 20.592 1.00 0.00 C ATOM 1607 O HIS A 101 3.077 -10.288 20.948 1.00 0.00 O ATOM 1608 CB HIS A 101 2.254 -12.730 21.976 1.00 0.00 C ATOM 1609 CG HIS A 101 1.957 -12.196 23.343 1.00 0.00 C ATOM 1610 ND1 HIS A 101 0.789 -12.474 24.014 1.00 0.00 N ATOM 1611 CD2 HIS A 101 2.679 -11.401 24.167 1.00 0.00 C ATOM 1612 CE1 HIS A 101 0.803 -11.878 25.189 1.00 0.00 C ATOM 1613 NE2 HIS A 101 1.939 -11.219 25.310 1.00 0.00 N ATOM 0 H HIS A 101 0.592 -13.331 19.432 1.00 0.00 H new ATOM 0 HA HIS A 101 0.408 -11.989 21.202 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.056 -13.802 21.963 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.316 -12.600 21.767 1.00 0.00 H new ATOM 0 HD2 HIS A 101 3.655 -10.987 23.964 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.017 -11.922 25.928 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.222 -10.666 26.119 1.00 0.00 H new ATOM 1622 N HIS A 102 1.109 -9.848 19.957 1.00 0.00 N ATOM 1623 CA HIS A 102 1.514 -8.539 19.462 1.00 0.00 C ATOM 1624 C HIS A 102 1.497 -7.491 20.569 1.00 0.00 C ATOM 1625 O HIS A 102 0.462 -6.895 20.864 1.00 0.00 O ATOM 1626 CB HIS A 102 0.606 -8.108 18.307 1.00 0.00 C ATOM 1627 CG HIS A 102 1.032 -6.840 17.632 1.00 0.00 C ATOM 1628 ND1 HIS A 102 0.185 -5.773 17.431 1.00 0.00 N ATOM 1629 CD2 HIS A 102 2.218 -6.480 17.090 1.00 0.00 C ATOM 1630 CE1 HIS A 102 0.832 -4.814 16.797 1.00 0.00 C ATOM 1631 NE2 HIS A 102 2.070 -5.218 16.576 1.00 0.00 N ATOM 0 H HIS A 102 0.135 -10.084 19.770 1.00 0.00 H new ATOM 0 HA HIS A 102 2.539 -8.621 19.100 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.574 -8.908 17.567 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -0.409 -7.982 18.685 1.00 0.00 H new ATOM 0 HD2 HIS A 102 3.117 -7.078 17.067 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.419 -3.859 16.507 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.795 -4.680 16.102 1.00 0.00 H new ATOM 1640 N HIS A 103 2.653 -7.290 21.184 1.00 0.00 N ATOM 1641 CA HIS A 103 2.830 -6.238 22.176 1.00 0.00 C ATOM 1642 C HIS A 103 2.567 -4.871 21.543 1.00 0.00 C ATOM 1643 O HIS A 103 3.036 -4.591 20.439 1.00 0.00 O ATOM 1644 CB HIS A 103 4.254 -6.307 22.754 1.00 0.00 C ATOM 1645 CG HIS A 103 4.584 -5.225 23.740 1.00 0.00 C ATOM 1646 ND1 HIS A 103 4.277 -5.309 25.080 1.00 0.00 N ATOM 1647 CD2 HIS A 103 5.226 -4.045 23.578 1.00 0.00 C ATOM 1648 CE1 HIS A 103 4.710 -4.227 25.698 1.00 0.00 C ATOM 1649 NE2 HIS A 103 5.292 -3.447 24.808 1.00 0.00 N ATOM 0 H HIS A 103 3.490 -7.847 21.012 1.00 0.00 H new ATOM 0 HA HIS A 103 2.117 -6.381 22.988 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.388 -7.274 23.238 1.00 0.00 H new ATOM 0 HB3 HIS A 103 4.968 -6.260 21.932 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.614 -3.649 22.651 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.606 -4.016 26.752 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.722 -2.543 25.004 1.00 0.00 H new ATOM 1658 N HIS A 104 1.808 -4.035 22.234 1.00 0.00 N ATOM 1659 CA HIS A 104 1.482 -2.709 21.729 1.00 0.00 C ATOM 1660 C HIS A 104 2.495 -1.682 22.200 1.00 0.00 C ATOM 1661 O HIS A 104 2.845 -1.629 23.378 1.00 0.00 O ATOM 1662 CB HIS A 104 0.074 -2.288 22.153 1.00 0.00 C ATOM 1663 CG HIS A 104 -0.999 -2.849 21.277 1.00 0.00 C ATOM 1664 ND1 HIS A 104 -1.810 -3.895 21.648 1.00 0.00 N ATOM 1665 CD2 HIS A 104 -1.388 -2.499 20.030 1.00 0.00 C ATOM 1666 CE1 HIS A 104 -2.650 -4.165 20.670 1.00 0.00 C ATOM 1667 NE2 HIS A 104 -2.417 -3.332 19.674 1.00 0.00 N ATOM 0 H HIS A 104 1.406 -4.250 23.146 1.00 0.00 H new ATOM 0 HA HIS A 104 1.516 -2.757 20.641 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.100 -2.609 23.180 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.009 -1.200 22.144 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -0.966 -1.709 19.426 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.403 -4.939 20.682 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -2.919 -3.311 18.786 1.00 0.00 H new ATOM 1676 N HIS A 105 2.962 -0.878 21.266 1.00 0.00 N ATOM 1677 CA HIS A 105 3.937 0.156 21.552 1.00 0.00 C ATOM 1678 C HIS A 105 3.667 1.362 20.667 1.00 0.00 C ATOM 1679 O HIS A 105 3.280 2.419 21.201 1.00 0.00 O ATOM 1680 CB HIS A 105 5.358 -0.362 21.319 1.00 0.00 C ATOM 1681 CG HIS A 105 6.423 0.613 21.712 1.00 0.00 C ATOM 1682 ND1 HIS A 105 7.005 0.625 22.958 1.00 0.00 N ATOM 1683 CD2 HIS A 105 7.014 1.612 21.016 1.00 0.00 C ATOM 1684 CE1 HIS A 105 7.902 1.587 23.014 1.00 0.00 C ATOM 1685 NE2 HIS A 105 7.930 2.203 21.849 1.00 0.00 N ATOM 1686 OXT HIS A 105 3.806 1.230 19.437 1.00 0.00 O ATOM 0 H HIS A 105 2.677 -0.923 20.288 1.00 0.00 H new ATOM 0 HA HIS A 105 3.849 0.446 22.599 1.00 0.00 H new ATOM 0 HB2 HIS A 105 5.496 -1.285 21.882 1.00 0.00 H new ATOM 0 HB3 HIS A 105 5.477 -0.611 20.265 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.804 1.892 19.994 1.00 0.00 H new ATOM 0 HE1 HIS A 105 8.513 1.831 23.871 1.00 0.00 H new ATOM 0 HE2 HIS A 105 8.533 2.989 21.607 1.00 0.00 H new TER 1695 HIS A 105