USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1046 hydrogens (13 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 204 PTR HN2 : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD NoAdj-H: B 204 PTR H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 78 GLN :FLIP amide:sc= 0 X(o=-1.2,f=-1) USER MOD Set 1.2: A 111 GLN :FLIP amide:sc= -1 F(o=-1.8,f=-1) USER MOD Set 2.1: A 79 SER OG : rot -128:sc= 0.238 USER MOD Set 2.2: A 84 ASN : amide:sc= -4.73! C(o=-10!,f=-18!) USER MOD Set 2.3: A 87 ASN : amide:sc= -5.33! C(o=-10!,f=-22!) USER MOD Set 2.4: A 88 TYR OH : rot 104:sc= -0.92 USER MOD Set 2.5: A 109 THR OG1 : rot -98:sc= 0.739 USER MOD Set 3.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 70 GLN : amide:sc= -2.48! C(o=-2.5!,f=-6.7!) USER MOD Set 4.1: A 40 GLN : amide:sc= -0.443 X(o=-11,f=-10) USER MOD Set 4.2: A 107 GLN : amide:sc= -10.4! C(o=-11!,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= 0.0179 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.09 K(o=-3.1,f=-4.5!) USER MOD Single : A 4 SER OG : rot 92:sc= 1.07 USER MOD Single : A 6 SER OG : rot 180:sc= -0.541 USER MOD Single : A 9 HIS : no HD1:sc= -7.5! C(o=-7.5!,f=-14!) USER MOD Single : A 11 GLN : amide:sc= -2.86 K(o=-2.9,f=-4.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 18 GLN : amide:sc=-0.00456 K(o=-0.0046,f=-1.3) USER MOD Single : A 20 SER OG : rot 149:sc= -4.2! USER MOD Single : A 23 CYS SG : rot 135:sc= -3.03 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.848 F(o=-2.1!,f=-0.85) USER MOD Single : A 34 ASN :FLIP amide:sc= -2.13! C(o=-3.8!,f=-2.1!) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= -0.128 (180deg=-0.433) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 38 THR OG1 : rot 37:sc= 0.808 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.918 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -150:sc= -0.494 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0132) USER MOD Single : A 57 GLN : amide:sc= -4.46 K(o=-4.5,f=-10!) USER MOD Single : A 58 THR OG1 : rot -66:sc= -1.76! USER MOD Single : A 61 SER OG : rot 108:sc= 1.06 USER MOD Single : A 62 HIS : no HE2:sc= -1.44 X(o=-1.4,f=-1.9) USER MOD Single : A 65 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.5!) USER MOD Single : A 73 THR OG1 : rot -85:sc= -2.11! USER MOD Single : A 75 LYS NZ :NH3+ -109:sc= 1.01 (180deg=-2.76) USER MOD Single : A 80 THR OG1 : rot 110:sc= -0.192 USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.257) USER MOD Single : A 83 HIS : no HD1:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.243 K(o=0.24,f=-0.68) USER MOD Single : A 97 ASN :FLIP amide:sc= -5.74! C(o=-8.6!,f=-5.7!) USER MOD Single : A 98 SER OG : rot 77:sc= -0.139 USER MOD Single : A 102 SER OG : rot 140:sc= -2.33! USER MOD Single : A 105 SER OG : rot 72:sc= 0.989 USER MOD Single : A 108 MET CE :methyl 159:sc= -8! (180deg=-11.4!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= -9.29! (180deg=-9.29!) USER MOD Single : A 123 GLN : amide:sc= -3.06 K(o=-3.1,f=-7.2!) USER MOD Single : A 125 SER OG : rot 130:sc= -1.99 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.259 9.316 -12.574 1.00 0.00 N ATOM 2 CA MET A 1 -4.108 8.589 -11.976 1.00 0.00 C ATOM 3 C MET A 1 -3.997 8.867 -10.480 1.00 0.00 C ATOM 4 O MET A 1 -4.902 9.446 -9.878 1.00 0.00 O ATOM 5 CB MET A 1 -2.830 9.029 -12.694 1.00 0.00 C ATOM 6 CG MET A 1 -1.883 7.882 -13.007 1.00 0.00 C ATOM 7 SD MET A 1 -1.099 8.049 -14.622 1.00 0.00 S ATOM 8 CE MET A 1 0.536 8.607 -14.150 1.00 0.00 C ATOM 0 H1 MET A 1 -5.565 8.829 -13.440 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.045 9.340 -11.894 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.972 10.288 -12.807 1.00 0.00 H new ATOM 0 HA MET A 1 -4.258 7.516 -12.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.100 9.531 -13.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.310 9.761 -12.076 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.113 7.831 -12.237 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.433 6.942 -12.970 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.142 8.755 -15.044 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.456 9.548 -13.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.006 7.858 -13.513 1.00 0.00 H new ATOM 20 N ASN A 2 -2.883 8.452 -9.886 1.00 0.00 N ATOM 21 CA ASN A 2 -2.656 8.659 -8.460 1.00 0.00 C ATOM 22 C ASN A 2 -1.459 9.580 -8.228 1.00 0.00 C ATOM 23 O ASN A 2 -1.019 10.284 -9.137 1.00 0.00 O ATOM 24 CB ASN A 2 -2.447 7.311 -7.752 1.00 0.00 C ATOM 25 CG ASN A 2 -1.008 6.827 -7.797 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.315 6.808 -6.780 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.552 6.430 -8.980 1.00 0.00 N ATOM 0 H ASN A 2 -2.124 7.971 -10.369 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.538 9.140 -8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.760 7.402 -6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.090 6.562 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.406 6.093 -9.070 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.160 6.462 -9.798 1.00 0.00 H new ATOM 34 N LEU A 3 -0.936 9.564 -7.007 1.00 0.00 N ATOM 35 CA LEU A 3 0.212 10.393 -6.657 1.00 0.00 C ATOM 36 C LEU A 3 1.515 9.646 -6.918 1.00 0.00 C ATOM 37 O LEU A 3 1.519 8.428 -7.090 1.00 0.00 O ATOM 38 CB LEU A 3 0.140 10.810 -5.187 1.00 0.00 C ATOM 39 CG LEU A 3 -0.721 12.040 -4.899 1.00 0.00 C ATOM 40 CD1 LEU A 3 -2.190 11.732 -5.144 1.00 0.00 C ATOM 41 CD2 LEU A 3 -0.504 12.518 -3.471 1.00 0.00 C ATOM 0 H LEU A 3 -1.288 8.987 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 3 0.189 11.286 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.247 9.972 -4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.152 11.004 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.421 12.838 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.788 12.619 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.331 11.437 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.505 10.919 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.124 13.394 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.777 11.724 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.545 12.779 -3.330 1.00 0.00 H new ATOM 53 N SER A 4 2.621 10.381 -6.939 1.00 0.00 N ATOM 54 CA SER A 4 3.928 9.778 -7.170 1.00 0.00 C ATOM 55 C SER A 4 4.242 8.761 -6.076 1.00 0.00 C ATOM 56 O SER A 4 3.346 8.317 -5.359 1.00 0.00 O ATOM 57 CB SER A 4 5.011 10.858 -7.217 1.00 0.00 C ATOM 58 OG SER A 4 5.312 11.336 -5.917 1.00 0.00 O ATOM 0 H SER A 4 2.639 11.391 -6.799 1.00 0.00 H new ATOM 0 HA SER A 4 3.909 9.263 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.913 10.453 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.677 11.685 -7.844 1.00 0.00 H new ATOM 0 HG SER A 4 6.054 10.817 -5.541 1.00 0.00 H new ATOM 64 N LEU A 5 5.512 8.394 -5.946 1.00 0.00 N ATOM 65 CA LEU A 5 5.919 7.432 -4.930 1.00 0.00 C ATOM 66 C LEU A 5 6.369 8.131 -3.650 1.00 0.00 C ATOM 67 O LEU A 5 5.789 7.927 -2.591 1.00 0.00 O ATOM 68 CB LEU A 5 7.034 6.533 -5.447 1.00 0.00 C ATOM 69 CG LEU A 5 6.960 5.066 -4.995 1.00 0.00 C ATOM 70 CD1 LEU A 5 6.326 4.908 -3.621 1.00 0.00 C ATOM 71 CD2 LEU A 5 6.206 4.219 -5.998 1.00 0.00 C ATOM 0 H LEU A 5 6.273 8.746 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 5 5.049 6.818 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.025 6.561 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.990 6.947 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 5 7.991 4.719 -4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.299 3.852 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.914 5.456 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.310 5.303 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.171 3.187 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.190 4.600 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.713 4.259 -6.962 1.00 0.00 H new ATOM 83 N SER A 6 7.415 8.943 -3.751 1.00 0.00 N ATOM 84 CA SER A 6 7.958 9.657 -2.596 1.00 0.00 C ATOM 85 C SER A 6 6.873 10.345 -1.762 1.00 0.00 C ATOM 86 O SER A 6 6.823 10.175 -0.544 1.00 0.00 O ATOM 87 CB SER A 6 8.989 10.689 -3.054 1.00 0.00 C ATOM 88 OG SER A 6 8.391 11.957 -3.270 1.00 0.00 O ATOM 0 H SER A 6 7.908 9.125 -4.625 1.00 0.00 H new ATOM 0 HA SER A 6 8.433 8.912 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.775 10.779 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.464 10.348 -3.974 1.00 0.00 H new ATOM 0 HG SER A 6 9.075 12.596 -3.561 1.00 0.00 H new ATOM 94 N ASP A 7 6.012 11.124 -2.412 1.00 0.00 N ATOM 95 CA ASP A 7 4.950 11.834 -1.699 1.00 0.00 C ATOM 96 C ASP A 7 3.960 10.846 -1.111 1.00 0.00 C ATOM 97 O ASP A 7 3.706 10.839 0.094 1.00 0.00 O ATOM 98 CB ASP A 7 4.220 12.814 -2.624 1.00 0.00 C ATOM 99 CG ASP A 7 5.139 13.458 -3.645 1.00 0.00 C ATOM 100 OD1 ASP A 7 6.335 13.638 -3.337 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.661 13.782 -4.753 1.00 0.00 O ATOM 0 H ASP A 7 6.026 11.280 -3.420 1.00 0.00 H new ATOM 0 HA ASP A 7 5.412 12.404 -0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.420 12.287 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.751 13.593 -2.023 1.00 0.00 H new ATOM 106 N LEU A 8 3.415 10.004 -1.973 1.00 0.00 N ATOM 107 CA LEU A 8 2.460 8.989 -1.561 1.00 0.00 C ATOM 108 C LEU A 8 3.027 8.159 -0.415 1.00 0.00 C ATOM 109 O LEU A 8 2.469 8.130 0.682 1.00 0.00 O ATOM 110 CB LEU A 8 2.142 8.095 -2.749 1.00 0.00 C ATOM 111 CG LEU A 8 0.877 7.260 -2.620 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.355 8.116 -2.875 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.944 6.093 -3.588 1.00 0.00 C ATOM 0 H LEU A 8 3.620 10.004 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 8 1.547 9.472 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.055 8.719 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.985 7.423 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 8 0.802 6.870 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.251 7.502 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.391 8.927 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.307 8.532 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.039 5.493 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.029 6.470 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.812 5.477 -3.355 1.00 0.00 H new ATOM 125 N HIS A 9 4.156 7.504 -0.679 1.00 0.00 N ATOM 126 CA HIS A 9 4.837 6.687 0.320 1.00 0.00 C ATOM 127 C HIS A 9 4.915 7.433 1.639 1.00 0.00 C ATOM 128 O HIS A 9 4.456 6.953 2.670 1.00 0.00 O ATOM 129 CB HIS A 9 6.250 6.345 -0.167 1.00 0.00 C ATOM 130 CG HIS A 9 7.249 6.131 0.932 1.00 0.00 C ATOM 131 ND1 HIS A 9 8.167 7.090 1.307 1.00 0.00 N ATOM 132 CD2 HIS A 9 7.469 5.068 1.740 1.00 0.00 C ATOM 133 CE1 HIS A 9 8.907 6.626 2.297 1.00 0.00 C ATOM 134 NE2 HIS A 9 8.504 5.402 2.579 1.00 0.00 N ATOM 0 H HIS A 9 4.621 7.525 -1.586 1.00 0.00 H new ATOM 0 HA HIS A 9 4.274 5.766 0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.202 5.444 -0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.604 7.150 -0.812 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.931 4.132 1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.706 7.158 2.792 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.897 4.801 3.303 1.00 0.00 H new ATOM 143 N ARG A 10 5.501 8.617 1.586 1.00 0.00 N ATOM 144 CA ARG A 10 5.642 9.453 2.774 1.00 0.00 C ATOM 145 C ARG A 10 4.279 9.672 3.429 1.00 0.00 C ATOM 146 O ARG A 10 4.142 9.587 4.649 1.00 0.00 O ATOM 147 CB ARG A 10 6.278 10.799 2.414 1.00 0.00 C ATOM 148 CG ARG A 10 7.787 10.733 2.235 1.00 0.00 C ATOM 149 CD ARG A 10 8.491 11.861 2.975 1.00 0.00 C ATOM 150 NE ARG A 10 9.082 12.834 2.058 1.00 0.00 N ATOM 151 CZ ARG A 10 8.388 13.783 1.434 1.00 0.00 C ATOM 152 NH1 ARG A 10 7.079 13.892 1.624 1.00 0.00 N ATOM 153 NH2 ARG A 10 9.004 14.628 0.619 1.00 0.00 N ATOM 0 H ARG A 10 5.888 9.024 0.735 1.00 0.00 H new ATOM 0 HA ARG A 10 6.295 8.941 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.827 11.169 1.493 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.045 11.522 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.155 9.774 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.030 10.786 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.779 12.365 3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.270 11.445 3.613 1.00 0.00 H new ATOM 0 HE ARG A 10 10.086 12.783 1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.599 13.246 2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.553 14.621 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.010 14.551 0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.472 15.355 0.141 1.00 0.00 H new ATOM 167 N GLN A 11 3.274 9.943 2.601 1.00 0.00 N ATOM 168 CA GLN A 11 1.914 10.162 3.080 1.00 0.00 C ATOM 169 C GLN A 11 1.408 8.941 3.840 1.00 0.00 C ATOM 170 O GLN A 11 1.165 8.995 5.048 1.00 0.00 O ATOM 171 CB GLN A 11 0.994 10.450 1.892 1.00 0.00 C ATOM 172 CG GLN A 11 -0.260 11.218 2.261 1.00 0.00 C ATOM 173 CD GLN A 11 -0.047 12.713 2.258 1.00 0.00 C ATOM 174 OE1 GLN A 11 0.532 13.269 1.325 1.00 0.00 O ATOM 175 NE2 GLN A 11 -0.516 13.373 3.305 1.00 0.00 N ATOM 0 H GLN A 11 3.378 10.016 1.589 1.00 0.00 H new ATOM 0 HA GLN A 11 1.915 11.015 3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.549 11.016 1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.707 9.506 1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.055 10.967 1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.596 10.905 3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.989 12.869 4.055 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.404 14.385 3.362 1.00 0.00 H new ATOM 184 N VAL A 12 1.261 7.839 3.116 1.00 0.00 N ATOM 185 CA VAL A 12 0.791 6.589 3.695 1.00 0.00 C ATOM 186 C VAL A 12 1.683 6.156 4.861 1.00 0.00 C ATOM 187 O VAL A 12 1.195 5.778 5.933 1.00 0.00 O ATOM 188 CB VAL A 12 0.750 5.484 2.615 1.00 0.00 C ATOM 189 CG1 VAL A 12 2.135 5.240 2.029 1.00 0.00 C ATOM 190 CG2 VAL A 12 0.160 4.200 3.172 1.00 0.00 C ATOM 0 H VAL A 12 1.463 7.787 2.118 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.217 6.748 4.079 1.00 0.00 H new ATOM 0 HB VAL A 12 0.102 5.828 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.077 4.458 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.505 6.159 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.816 4.928 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.143 3.439 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.770 3.851 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.856 4.387 3.519 1.00 0.00 H new ATOM 200 N SER A 13 2.993 6.232 4.641 1.00 0.00 N ATOM 201 CA SER A 13 3.981 5.865 5.651 1.00 0.00 C ATOM 202 C SER A 13 3.847 6.726 6.900 1.00 0.00 C ATOM 203 O SER A 13 3.700 6.211 8.005 1.00 0.00 O ATOM 204 CB SER A 13 5.392 6.004 5.077 1.00 0.00 C ATOM 205 OG SER A 13 6.346 5.373 5.913 1.00 0.00 O ATOM 0 H SER A 13 3.398 6.549 3.760 1.00 0.00 H new ATOM 0 HA SER A 13 3.801 4.828 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.428 5.563 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.641 7.059 4.967 1.00 0.00 H new ATOM 0 HG SER A 13 7.240 5.474 5.524 1.00 0.00 H new ATOM 211 N ARG A 14 3.903 8.039 6.716 1.00 0.00 N ATOM 212 CA ARG A 14 3.796 8.971 7.831 1.00 0.00 C ATOM 213 C ARG A 14 2.430 8.876 8.495 1.00 0.00 C ATOM 214 O ARG A 14 2.266 9.250 9.656 1.00 0.00 O ATOM 215 CB ARG A 14 4.045 10.402 7.352 1.00 0.00 C ATOM 216 CG ARG A 14 4.028 11.431 8.473 1.00 0.00 C ATOM 217 CD ARG A 14 3.101 12.593 8.152 1.00 0.00 C ATOM 218 NE ARG A 14 1.710 12.166 8.025 1.00 0.00 N ATOM 219 CZ ARG A 14 0.675 13.002 8.021 1.00 0.00 C ATOM 220 NH1 ARG A 14 0.869 14.310 8.140 1.00 0.00 N ATOM 221 NH2 ARG A 14 -0.558 12.530 7.899 1.00 0.00 N ATOM 0 H ARG A 14 4.022 8.482 5.805 1.00 0.00 H new ATOM 0 HA ARG A 14 4.554 8.703 8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.009 10.444 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.287 10.667 6.615 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.708 10.955 9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.038 11.806 8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.179 13.346 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.421 13.066 7.224 1.00 0.00 H new ATOM 0 HE ARG A 14 1.521 11.168 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.815 14.679 8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.072 14.946 8.136 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.713 11.526 7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.351 13.171 7.896 1.00 0.00 H new ATOM 235 N LEU A 15 1.448 8.383 7.750 1.00 0.00 N ATOM 236 CA LEU A 15 0.098 8.252 8.268 1.00 0.00 C ATOM 237 C LEU A 15 -0.013 7.110 9.270 1.00 0.00 C ATOM 238 O LEU A 15 -0.323 7.330 10.441 1.00 0.00 O ATOM 239 CB LEU A 15 -0.874 8.030 7.118 1.00 0.00 C ATOM 240 CG LEU A 15 -1.361 9.312 6.459 1.00 0.00 C ATOM 241 CD1 LEU A 15 -1.762 9.053 5.016 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.520 9.906 7.242 1.00 0.00 C ATOM 0 H LEU A 15 1.564 8.069 6.787 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.152 9.176 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.392 7.407 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.736 7.474 7.487 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.543 10.032 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.107 9.982 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.903 8.676 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.564 8.315 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.856 10.822 6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.342 9.191 7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.195 10.132 8.258 1.00 0.00 H new ATOM 254 N VAL A 16 0.231 5.890 8.806 1.00 0.00 N ATOM 255 CA VAL A 16 0.144 4.721 9.675 1.00 0.00 C ATOM 256 C VAL A 16 1.282 4.698 10.687 1.00 0.00 C ATOM 257 O VAL A 16 1.148 4.131 11.771 1.00 0.00 O ATOM 258 CB VAL A 16 0.139 3.411 8.852 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.292 2.490 9.238 1.00 0.00 C ATOM 260 CG2 VAL A 16 -1.189 2.686 8.995 1.00 0.00 C ATOM 0 H VAL A 16 0.489 5.684 7.841 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.798 4.792 10.218 1.00 0.00 H new ATOM 0 HB VAL A 16 0.275 3.689 7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.250 1.582 8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.239 2.999 9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.212 2.229 10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.168 1.768 8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.359 2.441 10.044 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.994 3.328 8.637 1.00 0.00 H new ATOM 270 N GLN A 17 2.402 5.312 10.331 1.00 0.00 N ATOM 271 CA GLN A 17 3.553 5.346 11.220 1.00 0.00 C ATOM 272 C GLN A 17 3.370 6.388 12.318 1.00 0.00 C ATOM 273 O GLN A 17 4.078 6.363 13.325 1.00 0.00 O ATOM 274 CB GLN A 17 4.835 5.629 10.435 1.00 0.00 C ATOM 275 CG GLN A 17 5.209 4.524 9.460 1.00 0.00 C ATOM 276 CD GLN A 17 6.357 3.669 9.959 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.425 3.328 11.141 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.268 3.317 9.060 1.00 0.00 N ATOM 0 H GLN A 17 2.537 5.790 9.440 1.00 0.00 H new ATOM 0 HA GLN A 17 3.638 4.366 11.689 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.715 6.562 9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.656 5.776 11.137 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.339 3.891 9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.481 4.967 8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.173 3.622 8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.063 2.742 9.338 1.00 0.00 H new ATOM 287 N GLN A 18 2.425 7.308 12.128 1.00 0.00 N ATOM 288 CA GLN A 18 2.185 8.344 13.125 1.00 0.00 C ATOM 289 C GLN A 18 0.705 8.706 13.223 1.00 0.00 C ATOM 290 O GLN A 18 0.357 9.882 13.331 1.00 0.00 O ATOM 291 CB GLN A 18 3.006 9.593 12.795 1.00 0.00 C ATOM 292 CG GLN A 18 4.396 9.287 12.261 1.00 0.00 C ATOM 293 CD GLN A 18 5.297 10.506 12.249 1.00 0.00 C ATOM 294 OE1 GLN A 18 4.911 11.583 12.703 1.00 0.00 O ATOM 295 NE2 GLN A 18 6.508 10.342 11.728 1.00 0.00 N ATOM 0 H GLN A 18 1.823 7.356 11.306 1.00 0.00 H new ATOM 0 HA GLN A 18 2.496 7.948 14.092 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.466 10.188 12.058 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.098 10.204 13.693 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.853 8.508 12.872 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.313 8.891 11.249 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.787 9.431 11.363 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.159 11.127 11.693 1.00 0.00 H new ATOM 304 N GLU A 19 -0.171 7.699 13.196 1.00 0.00 N ATOM 305 CA GLU A 19 -1.609 7.952 13.294 1.00 0.00 C ATOM 306 C GLU A 19 -2.441 6.685 13.086 1.00 0.00 C ATOM 307 O GLU A 19 -3.093 6.201 14.011 1.00 0.00 O ATOM 308 CB GLU A 19 -2.035 9.016 12.275 1.00 0.00 C ATOM 309 CG GLU A 19 -2.738 10.210 12.900 1.00 0.00 C ATOM 310 CD GLU A 19 -1.860 11.445 12.947 1.00 0.00 C ATOM 311 OE1 GLU A 19 -1.482 11.947 11.868 1.00 0.00 O ATOM 312 OE2 GLU A 19 -1.550 11.911 14.064 1.00 0.00 O ATOM 0 H GLU A 19 0.085 6.716 13.108 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.797 8.310 14.306 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.154 9.365 11.736 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.697 8.559 11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.642 10.433 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.052 9.953 13.912 1.00 0.00 H new ATOM 319 N SER A 20 -2.442 6.176 11.859 1.00 0.00 N ATOM 320 CA SER A 20 -3.228 4.992 11.515 1.00 0.00 C ATOM 321 C SER A 20 -2.665 3.712 12.137 1.00 0.00 C ATOM 322 O SER A 20 -3.419 2.794 12.461 1.00 0.00 O ATOM 323 CB SER A 20 -3.313 4.851 9.994 1.00 0.00 C ATOM 324 OG SER A 20 -3.739 6.063 9.397 1.00 0.00 O ATOM 0 H SER A 20 -1.907 6.564 11.083 1.00 0.00 H new ATOM 0 HA SER A 20 -4.227 5.132 11.929 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.339 4.568 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.007 4.051 9.737 1.00 0.00 H new ATOM 0 HG SER A 20 -3.339 6.147 8.506 1.00 0.00 H new ATOM 330 N GLY A 21 -1.348 3.648 12.306 1.00 0.00 N ATOM 331 CA GLY A 21 -0.736 2.465 12.892 1.00 0.00 C ATOM 332 C GLY A 21 -0.615 1.311 11.908 1.00 0.00 C ATOM 333 O GLY A 21 0.482 0.811 11.664 1.00 0.00 O ATOM 0 H GLY A 21 -0.695 4.389 12.050 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.255 2.722 13.266 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.327 2.144 13.750 1.00 0.00 H new ATOM 337 N ASP A 22 -1.745 0.883 11.350 1.00 0.00 N ATOM 338 CA ASP A 22 -1.758 -0.221 10.391 1.00 0.00 C ATOM 339 C ASP A 22 -3.172 -0.467 9.854 1.00 0.00 C ATOM 340 O ASP A 22 -3.532 -1.595 9.519 1.00 0.00 O ATOM 341 CB ASP A 22 -1.227 -1.495 11.049 1.00 0.00 C ATOM 342 CG ASP A 22 -0.323 -2.289 10.126 1.00 0.00 C ATOM 343 OD1 ASP A 22 0.819 -1.844 9.888 1.00 0.00 O ATOM 344 OD2 ASP A 22 -0.757 -3.355 9.642 1.00 0.00 O ATOM 0 H ASP A 22 -2.663 1.283 11.545 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.114 0.051 9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.678 -1.232 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.066 -2.119 11.356 1.00 0.00 H new ATOM 349 N CYS A 23 -3.968 0.598 9.782 1.00 0.00 N ATOM 350 CA CYS A 23 -5.345 0.512 9.294 1.00 0.00 C ATOM 351 C CYS A 23 -5.377 0.354 7.773 1.00 0.00 C ATOM 352 O CYS A 23 -4.395 -0.079 7.170 1.00 0.00 O ATOM 353 CB CYS A 23 -6.113 1.765 9.729 1.00 0.00 C ATOM 354 SG CYS A 23 -7.330 1.464 11.030 1.00 0.00 S ATOM 0 H CYS A 23 -3.681 1.537 10.057 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.822 -0.369 9.724 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.401 2.513 10.078 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.620 2.188 8.862 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.234 2.391 11.937 1.00 0.00 H new ATOM 360 N THR A 24 -6.502 0.709 7.151 1.00 0.00 N ATOM 361 CA THR A 24 -6.631 0.601 5.702 1.00 0.00 C ATOM 362 C THR A 24 -6.502 1.982 5.071 1.00 0.00 C ATOM 363 O THR A 24 -6.915 2.981 5.660 1.00 0.00 O ATOM 364 CB THR A 24 -7.973 -0.028 5.325 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.277 -1.117 6.178 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.026 -0.533 3.896 1.00 0.00 C ATOM 0 H THR A 24 -7.329 1.071 7.625 1.00 0.00 H new ATOM 0 HA THR A 24 -5.835 -0.042 5.326 1.00 0.00 H new ATOM 0 HB THR A 24 -8.703 0.774 5.434 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.140 -1.503 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.007 -0.966 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.851 0.296 3.210 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.258 -1.293 3.750 1.00 0.00 H new ATOM 374 N GLY A 25 -5.902 2.039 3.888 1.00 0.00 N ATOM 375 CA GLY A 25 -5.705 3.314 3.228 1.00 0.00 C ATOM 376 C GLY A 25 -6.654 3.555 2.075 1.00 0.00 C ATOM 377 O GLY A 25 -6.853 2.688 1.224 1.00 0.00 O ATOM 0 H GLY A 25 -5.550 1.229 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.825 4.114 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.680 3.369 2.861 1.00 0.00 H new ATOM 381 N LYS A 26 -7.223 4.754 2.043 1.00 0.00 N ATOM 382 CA LYS A 26 -8.142 5.146 0.984 1.00 0.00 C ATOM 383 C LYS A 26 -7.436 6.103 0.027 1.00 0.00 C ATOM 384 O LYS A 26 -6.826 7.084 0.463 1.00 0.00 O ATOM 385 CB LYS A 26 -9.390 5.806 1.581 1.00 0.00 C ATOM 386 CG LYS A 26 -9.127 7.175 2.174 1.00 0.00 C ATOM 387 CD LYS A 26 -9.321 8.276 1.142 1.00 0.00 C ATOM 388 CE LYS A 26 -10.582 9.083 1.410 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.600 8.892 0.341 1.00 0.00 N ATOM 0 H LYS A 26 -7.062 5.476 2.745 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.456 4.260 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.150 5.895 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.799 5.157 2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.798 7.343 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.110 7.215 2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.456 8.939 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.375 7.836 0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.004 8.788 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.328 10.140 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.444 9.458 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.206 9.197 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.862 7.887 0.287 1.00 0.00 H new ATOM 403 N LEU A 27 -7.500 5.805 -1.270 1.00 0.00 N ATOM 404 CA LEU A 27 -6.840 6.637 -2.273 1.00 0.00 C ATOM 405 C LEU A 27 -7.831 7.500 -3.046 1.00 0.00 C ATOM 406 O LEU A 27 -8.968 7.101 -3.298 1.00 0.00 O ATOM 407 CB LEU A 27 -6.042 5.771 -3.249 1.00 0.00 C ATOM 408 CG LEU A 27 -4.979 6.524 -4.054 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.638 5.809 -3.979 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.418 6.686 -5.501 1.00 0.00 C ATOM 0 H LEU A 27 -7.999 5.000 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.163 7.302 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.556 4.972 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.736 5.297 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.861 7.516 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.898 6.362 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.315 5.750 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.739 4.803 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.649 7.223 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.568 5.703 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.351 7.248 -5.537 1.00 0.00 H new ATOM 422 N ARG A 28 -7.367 8.688 -3.419 1.00 0.00 N ATOM 423 CA ARG A 28 -8.160 9.659 -4.171 1.00 0.00 C ATOM 424 C ARG A 28 -7.420 10.994 -4.192 1.00 0.00 C ATOM 425 O ARG A 28 -7.944 12.020 -3.758 1.00 0.00 O ATOM 426 CB ARG A 28 -9.552 9.830 -3.547 1.00 0.00 C ATOM 427 CG ARG A 28 -10.690 9.617 -4.533 1.00 0.00 C ATOM 428 CD ARG A 28 -11.356 8.263 -4.340 1.00 0.00 C ATOM 429 NE ARG A 28 -11.028 7.332 -5.419 1.00 0.00 N ATOM 430 CZ ARG A 28 -11.363 7.525 -6.693 1.00 0.00 C ATOM 431 NH1 ARG A 28 -12.051 8.603 -7.050 1.00 0.00 N ATOM 432 NH2 ARG A 28 -11.013 6.637 -7.613 1.00 0.00 N ATOM 0 H ARG A 28 -6.422 9.008 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.295 9.297 -5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.660 9.126 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.631 10.831 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.430 10.407 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.308 9.693 -5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.043 7.838 -3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.437 8.394 -4.291 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.512 6.485 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.326 9.289 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.305 8.745 -8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.487 5.805 -7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.270 6.785 -8.589 1.00 0.00 H new ATOM 446 N GLY A 29 -6.177 10.958 -4.665 1.00 0.00 N ATOM 447 CA GLY A 29 -5.357 12.156 -4.694 1.00 0.00 C ATOM 448 C GLY A 29 -4.608 12.342 -3.385 1.00 0.00 C ATOM 449 O GLY A 29 -3.781 13.243 -3.246 1.00 0.00 O ATOM 0 H GLY A 29 -5.723 10.120 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.645 12.093 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.986 13.026 -4.883 1.00 0.00 H new ATOM 453 N ASN A 30 -4.911 11.470 -2.426 1.00 0.00 N ATOM 454 CA ASN A 30 -4.293 11.491 -1.109 1.00 0.00 C ATOM 455 C ASN A 30 -4.591 10.169 -0.407 1.00 0.00 C ATOM 456 O ASN A 30 -5.478 9.428 -0.834 1.00 0.00 O ATOM 457 CB ASN A 30 -4.822 12.686 -0.294 1.00 0.00 C ATOM 458 CG ASN A 30 -5.529 12.282 0.991 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.613 11.523 0.862 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.104 12.649 2.087 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.597 10.725 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.213 11.608 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.989 13.345 -0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.511 13.260 -0.913 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.268 13.231 2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.588 12.371 2.941 1.00 0.00 H new ATOM 467 N VAL A 31 -3.873 9.871 0.666 1.00 0.00 N ATOM 468 CA VAL A 31 -4.112 8.631 1.394 1.00 0.00 C ATOM 469 C VAL A 31 -4.679 8.906 2.778 1.00 0.00 C ATOM 470 O VAL A 31 -4.062 9.581 3.602 1.00 0.00 O ATOM 471 CB VAL A 31 -2.844 7.759 1.506 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.608 8.615 1.716 1.00 0.00 C ATOM 473 CG2 VAL A 31 -2.978 6.724 2.617 1.00 0.00 C ATOM 0 H VAL A 31 -3.132 10.459 1.048 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.847 8.072 0.815 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.731 7.225 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.730 7.974 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.489 9.295 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.716 9.191 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.068 6.126 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.135 7.231 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.828 6.074 2.408 1.00 0.00 H new ATOM 483 N ALA A 32 -5.860 8.359 3.014 1.00 0.00 N ATOM 484 CA ALA A 32 -6.543 8.513 4.294 1.00 0.00 C ATOM 485 C ALA A 32 -6.568 7.186 5.042 1.00 0.00 C ATOM 486 O ALA A 32 -6.269 6.141 4.467 1.00 0.00 O ATOM 487 CB ALA A 32 -7.953 9.052 4.098 1.00 0.00 C ATOM 0 H ALA A 32 -6.372 7.799 2.332 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.991 9.237 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.440 9.157 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.906 10.024 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.524 8.361 3.478 1.00 0.00 H new ATOM 493 N ALA A 33 -6.902 7.228 6.326 1.00 0.00 N ATOM 494 CA ALA A 33 -6.931 6.017 7.138 1.00 0.00 C ATOM 495 C ALA A 33 -8.353 5.529 7.382 1.00 0.00 C ATOM 496 O ALA A 33 -9.258 6.315 7.664 1.00 0.00 O ATOM 497 CB ALA A 33 -6.231 6.263 8.463 1.00 0.00 C ATOM 0 H ALA A 33 -7.155 8.081 6.825 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.406 5.238 6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.258 5.353 9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.195 6.547 8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.738 7.066 8.999 1.00 0.00 H new ATOM 503 N ASN A 34 -8.533 4.216 7.274 1.00 0.00 N ATOM 504 CA ASN A 34 -9.830 3.589 7.482 1.00 0.00 C ATOM 505 C ASN A 34 -9.761 2.603 8.644 1.00 0.00 C ATOM 506 O ASN A 34 -8.967 1.657 8.624 1.00 0.00 O ATOM 507 CB ASN A 34 -10.281 2.874 6.202 1.00 0.00 C ATOM 508 CG ASN A 34 -11.390 1.863 6.445 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.252 0.678 5.858 1.00 0.00 O flip ATOM 510 ND2 ASN A 34 -12.357 2.145 7.152 1.00 0.00 N flip ATOM 0 H ASN A 34 -7.787 3.561 7.041 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.558 4.362 7.727 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.624 3.615 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.426 2.367 5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.422 3.067 7.583 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.094 1.457 7.307 1.00 0.00 H new ATOM 517 N LYS A 35 -10.594 2.839 9.654 1.00 0.00 N ATOM 518 CA LYS A 35 -10.637 1.983 10.834 1.00 0.00 C ATOM 519 C LYS A 35 -12.033 1.400 11.041 1.00 0.00 C ATOM 520 O LYS A 35 -12.184 0.313 11.598 1.00 0.00 O ATOM 521 CB LYS A 35 -10.214 2.775 12.073 1.00 0.00 C ATOM 522 CG LYS A 35 -10.252 1.965 13.360 1.00 0.00 C ATOM 523 CD LYS A 35 -10.050 2.847 14.582 1.00 0.00 C ATOM 524 CE LYS A 35 -11.098 3.946 14.660 1.00 0.00 C ATOM 525 NZ LYS A 35 -12.463 3.439 14.348 1.00 0.00 N ATOM 0 H LYS A 35 -11.250 3.619 9.678 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.942 1.158 10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.203 3.155 11.923 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.867 3.641 12.180 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.209 1.448 13.437 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.477 1.199 13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.095 2.236 15.484 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.056 3.293 14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.093 4.382 15.659 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.840 4.743 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.172 4.050 14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.608 3.444 13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.563 2.468 14.707 1.00 0.00 H new ATOM 539 N GLU A 36 -13.053 2.129 10.592 1.00 0.00 N ATOM 540 CA GLU A 36 -14.437 1.680 10.733 1.00 0.00 C ATOM 541 C GLU A 36 -14.605 0.256 10.210 1.00 0.00 C ATOM 542 O GLU A 36 -14.681 -0.695 10.987 1.00 0.00 O ATOM 543 CB GLU A 36 -15.380 2.626 9.987 1.00 0.00 C ATOM 544 CG GLU A 36 -15.536 3.982 10.658 1.00 0.00 C ATOM 545 CD GLU A 36 -14.920 5.107 9.851 1.00 0.00 C ATOM 546 OE1 GLU A 36 -15.591 5.610 8.925 1.00 0.00 O ATOM 547 OE2 GLU A 36 -13.766 5.486 10.144 1.00 0.00 O ATOM 0 H GLU A 36 -12.948 3.031 10.128 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.689 1.689 11.793 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.008 2.772 8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.360 2.157 9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.595 4.188 10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.072 3.951 11.644 1.00 0.00 H new ATOM 554 N THR A 37 -14.656 0.117 8.889 1.00 0.00 N ATOM 555 CA THR A 37 -14.808 -1.193 8.268 1.00 0.00 C ATOM 556 C THR A 37 -13.483 -1.947 8.283 1.00 0.00 C ATOM 557 O THR A 37 -12.493 -1.465 8.833 1.00 0.00 O ATOM 558 CB THR A 37 -15.315 -1.050 6.831 1.00 0.00 C ATOM 559 OG1 THR A 37 -15.448 -2.319 6.218 1.00 0.00 O ATOM 560 CG2 THR A 37 -14.410 -0.210 5.956 1.00 0.00 C ATOM 0 H THR A 37 -14.594 0.893 8.230 1.00 0.00 H new ATOM 0 HA THR A 37 -15.541 -1.761 8.842 1.00 0.00 H new ATOM 0 HB THR A 37 -16.279 -0.548 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.775 -2.207 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.829 -0.150 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.327 0.793 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.422 -0.667 5.910 1.00 0.00 H new ATOM 568 N THR A 38 -13.468 -3.130 7.681 1.00 0.00 N ATOM 569 CA THR A 38 -12.259 -3.942 7.635 1.00 0.00 C ATOM 570 C THR A 38 -12.050 -4.543 6.250 1.00 0.00 C ATOM 571 O THR A 38 -12.762 -5.463 5.847 1.00 0.00 O ATOM 572 CB THR A 38 -12.329 -5.055 8.682 1.00 0.00 C ATOM 573 OG1 THR A 38 -13.422 -5.918 8.424 1.00 0.00 O ATOM 574 CG2 THR A 38 -12.475 -4.538 10.097 1.00 0.00 C ATOM 0 H THR A 38 -14.276 -3.547 7.220 1.00 0.00 H new ATOM 0 HA THR A 38 -11.411 -3.294 7.856 1.00 0.00 H new ATOM 0 HB THR A 38 -11.380 -5.586 8.603 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.532 -6.026 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.519 -5.379 10.789 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.620 -3.908 10.344 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.392 -3.954 10.178 1.00 0.00 H new ATOM 582 N PHE A 39 -11.064 -4.021 5.528 1.00 0.00 N ATOM 583 CA PHE A 39 -10.754 -4.511 4.190 1.00 0.00 C ATOM 584 C PHE A 39 -10.351 -5.990 4.248 1.00 0.00 C ATOM 585 O PHE A 39 -10.338 -6.596 5.320 1.00 0.00 O ATOM 586 CB PHE A 39 -9.637 -3.648 3.562 1.00 0.00 C ATOM 587 CG PHE A 39 -8.308 -4.344 3.449 1.00 0.00 C ATOM 588 CD1 PHE A 39 -7.723 -4.933 4.560 1.00 0.00 C ATOM 589 CD2 PHE A 39 -7.649 -4.411 2.235 1.00 0.00 C ATOM 590 CE1 PHE A 39 -6.507 -5.577 4.460 1.00 0.00 C ATOM 591 CE2 PHE A 39 -6.431 -5.052 2.128 1.00 0.00 C ATOM 592 CZ PHE A 39 -5.860 -5.637 3.243 1.00 0.00 C ATOM 0 H PHE A 39 -10.466 -3.259 5.847 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.640 -4.431 3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.954 -3.331 2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.512 -2.745 4.160 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.225 -4.887 5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.092 -3.957 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.063 -6.033 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.925 -5.096 1.175 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.908 -6.141 3.161 1.00 0.00 H new ATOM 602 N GLN A 40 -10.016 -6.560 3.094 1.00 0.00 N ATOM 603 CA GLN A 40 -9.605 -7.961 3.017 1.00 0.00 C ATOM 604 C GLN A 40 -9.078 -8.317 1.625 1.00 0.00 C ATOM 605 O GLN A 40 -9.077 -9.484 1.231 1.00 0.00 O ATOM 606 CB GLN A 40 -10.776 -8.872 3.369 1.00 0.00 C ATOM 607 CG GLN A 40 -12.016 -8.627 2.525 1.00 0.00 C ATOM 608 CD GLN A 40 -13.189 -8.120 3.341 1.00 0.00 C ATOM 609 OE1 GLN A 40 -13.857 -8.888 4.033 1.00 0.00 O ATOM 610 NE2 GLN A 40 -13.445 -6.819 3.264 1.00 0.00 N ATOM 0 H GLN A 40 -10.021 -6.074 2.197 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.798 -8.108 3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.466 -9.910 3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.029 -8.733 4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.782 -7.903 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.300 -9.554 2.026 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.865 -6.219 2.678 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.222 -6.420 3.791 1.00 0.00 H new ATOM 619 N GLY A 41 -8.636 -7.306 0.887 1.00 0.00 N ATOM 620 CA GLY A 41 -8.113 -7.518 -0.453 1.00 0.00 C ATOM 621 C GLY A 41 -9.200 -7.691 -1.498 1.00 0.00 C ATOM 622 O GLY A 41 -8.928 -7.558 -2.688 1.00 0.00 O ATOM 0 H GLY A 41 -8.630 -6.334 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.484 -6.672 -0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.475 -8.402 -0.452 1.00 0.00 H new ATOM 626 N LEU A 42 -10.429 -7.979 -1.060 1.00 0.00 N ATOM 627 CA LEU A 42 -11.554 -8.169 -1.975 1.00 0.00 C ATOM 628 C LEU A 42 -11.630 -7.041 -3.007 1.00 0.00 C ATOM 629 O LEU A 42 -10.821 -6.117 -2.989 1.00 0.00 O ATOM 630 CB LEU A 42 -12.864 -8.302 -1.173 1.00 0.00 C ATOM 631 CG LEU A 42 -13.861 -7.141 -1.275 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.999 -7.492 -2.217 1.00 0.00 C ATOM 633 CD2 LEU A 42 -14.403 -6.783 0.102 1.00 0.00 C ATOM 0 H LEU A 42 -10.669 -8.086 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.400 -9.093 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.369 -9.212 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.606 -8.437 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.337 -6.275 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.695 -6.655 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.599 -7.701 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.522 -8.373 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.109 -5.957 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.909 -7.648 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.579 -6.487 0.751 1.00 0.00 H new ATOM 645 N THR A 43 -12.594 -7.130 -3.916 1.00 0.00 N ATOM 646 CA THR A 43 -12.750 -6.124 -4.961 1.00 0.00 C ATOM 647 C THR A 43 -14.099 -5.416 -4.865 1.00 0.00 C ATOM 648 O THR A 43 -14.878 -5.414 -5.818 1.00 0.00 O ATOM 649 CB THR A 43 -12.601 -6.776 -6.336 1.00 0.00 C ATOM 650 OG1 THR A 43 -11.397 -7.519 -6.413 1.00 0.00 O ATOM 651 CG2 THR A 43 -12.599 -5.780 -7.473 1.00 0.00 C ATOM 0 H THR A 43 -13.278 -7.886 -3.951 1.00 0.00 H new ATOM 0 HA THR A 43 -11.970 -5.375 -4.823 1.00 0.00 H new ATOM 0 HB THR A 43 -13.471 -7.424 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.322 -7.929 -7.300 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.490 -6.309 -8.420 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.538 -5.226 -7.473 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.768 -5.086 -7.347 1.00 0.00 H new ATOM 659 N ILE A 44 -14.367 -4.807 -3.713 1.00 0.00 N ATOM 660 CA ILE A 44 -15.620 -4.086 -3.496 1.00 0.00 C ATOM 661 C ILE A 44 -16.810 -5.037 -3.404 1.00 0.00 C ATOM 662 O ILE A 44 -17.520 -5.054 -2.398 1.00 0.00 O ATOM 663 CB ILE A 44 -15.884 -3.060 -4.616 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.629 -2.224 -4.879 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.057 -2.163 -4.247 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.830 -2.693 -6.075 1.00 0.00 C ATOM 0 H ILE A 44 -13.733 -4.798 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.511 -3.561 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.137 -3.599 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.920 -1.185 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -13.993 -2.250 -3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.231 -1.444 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.950 -2.772 -4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.831 -1.630 -3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.955 -2.055 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.508 -3.722 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.450 -2.640 -6.970 1.00 0.00 H new ATOM 678 N ALA A 45 -17.019 -5.814 -4.467 1.00 0.00 N ATOM 679 CA ALA A 45 -18.122 -6.781 -4.550 1.00 0.00 C ATOM 680 C ALA A 45 -18.705 -7.128 -3.182 1.00 0.00 C ATOM 681 O ALA A 45 -19.773 -6.641 -2.811 1.00 0.00 O ATOM 682 CB ALA A 45 -17.652 -8.045 -5.254 1.00 0.00 C ATOM 0 H ALA A 45 -16.429 -5.793 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.919 -6.311 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.475 -8.757 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.316 -7.797 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.828 -8.488 -4.695 1.00 0.00 H new ATOM 688 N SER A 46 -17.997 -7.975 -2.439 1.00 0.00 N ATOM 689 CA SER A 46 -18.439 -8.395 -1.109 1.00 0.00 C ATOM 690 C SER A 46 -18.958 -7.212 -0.294 1.00 0.00 C ATOM 691 O SER A 46 -20.114 -7.199 0.128 1.00 0.00 O ATOM 692 CB SER A 46 -17.292 -9.077 -0.361 1.00 0.00 C ATOM 693 OG SER A 46 -16.981 -10.333 -0.938 1.00 0.00 O ATOM 0 H SER A 46 -17.112 -8.386 -2.735 1.00 0.00 H new ATOM 0 HA SER A 46 -19.258 -9.103 -1.239 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.410 -8.437 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.566 -9.212 0.685 1.00 0.00 H new ATOM 0 HG SER A 46 -16.244 -10.747 -0.443 1.00 0.00 H new ATOM 699 N GLY A 47 -18.100 -6.218 -0.078 1.00 0.00 N ATOM 700 CA GLY A 47 -18.504 -5.051 0.684 1.00 0.00 C ATOM 701 C GLY A 47 -17.339 -4.154 1.060 1.00 0.00 C ATOM 702 O GLY A 47 -17.178 -3.795 2.226 1.00 0.00 O ATOM 0 H GLY A 47 -17.138 -6.200 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.225 -4.476 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.013 -5.375 1.592 1.00 0.00 H new ATOM 706 N ALA A 48 -16.529 -3.783 0.073 1.00 0.00 N ATOM 707 CA ALA A 48 -15.383 -2.914 0.316 1.00 0.00 C ATOM 708 C ALA A 48 -15.594 -1.542 -0.311 1.00 0.00 C ATOM 709 O ALA A 48 -16.562 -1.322 -1.040 1.00 0.00 O ATOM 710 CB ALA A 48 -14.107 -3.545 -0.222 1.00 0.00 C ATOM 0 H ALA A 48 -16.644 -4.069 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.284 -2.787 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.264 -2.881 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.936 -4.500 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.205 -3.706 -1.295 1.00 0.00 H new ATOM 716 N ARG A 49 -14.679 -0.624 -0.023 1.00 0.00 N ATOM 717 CA ARG A 49 -14.758 0.730 -0.559 1.00 0.00 C ATOM 718 C ARG A 49 -13.993 0.835 -1.874 1.00 0.00 C ATOM 719 O ARG A 49 -13.109 0.026 -2.153 1.00 0.00 O ATOM 720 CB ARG A 49 -14.191 1.729 0.455 1.00 0.00 C ATOM 721 CG ARG A 49 -14.746 3.137 0.310 1.00 0.00 C ATOM 722 CD ARG A 49 -16.061 3.297 1.054 1.00 0.00 C ATOM 723 NE ARG A 49 -17.090 2.395 0.543 1.00 0.00 N ATOM 724 CZ ARG A 49 -17.747 2.591 -0.597 1.00 0.00 C ATOM 725 NH1 ARG A 49 -17.486 3.655 -1.347 1.00 0.00 N ATOM 726 NH2 ARG A 49 -18.667 1.721 -0.990 1.00 0.00 N ATOM 0 H ARG A 49 -13.873 -0.793 0.579 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.805 0.965 -0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.401 1.368 1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.107 1.764 0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.021 3.856 0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.894 3.364 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.903 3.104 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.405 4.327 0.965 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.318 1.566 1.092 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.779 4.327 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.993 3.800 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.871 0.901 -0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.171 1.871 -1.864 1.00 0.00 H new ATOM 740 N GLU A 50 -14.330 1.836 -2.677 1.00 0.00 N ATOM 741 CA GLU A 50 -13.660 2.042 -3.955 1.00 0.00 C ATOM 742 C GLU A 50 -12.241 2.561 -3.737 1.00 0.00 C ATOM 743 O GLU A 50 -11.372 2.413 -4.596 1.00 0.00 O ATOM 744 CB GLU A 50 -14.450 3.028 -4.818 1.00 0.00 C ATOM 745 CG GLU A 50 -15.569 2.377 -5.614 1.00 0.00 C ATOM 746 CD GLU A 50 -16.887 2.368 -4.864 1.00 0.00 C ATOM 747 OE1 GLU A 50 -16.990 1.642 -3.852 1.00 0.00 O ATOM 748 OE2 GLU A 50 -17.817 3.086 -5.288 1.00 0.00 O ATOM 0 H GLU A 50 -15.061 2.516 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.607 1.084 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.873 3.801 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.766 3.524 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.695 2.908 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.288 1.353 -5.860 1.00 0.00 H new ATOM 755 N SER A 51 -12.012 3.171 -2.580 1.00 0.00 N ATOM 756 CA SER A 51 -10.702 3.711 -2.249 1.00 0.00 C ATOM 757 C SER A 51 -9.654 2.607 -2.166 1.00 0.00 C ATOM 758 O SER A 51 -8.697 2.597 -2.937 1.00 0.00 O ATOM 759 CB SER A 51 -10.763 4.468 -0.927 1.00 0.00 C ATOM 760 OG SER A 51 -10.887 3.577 0.169 1.00 0.00 O ATOM 0 H SER A 51 -12.718 3.303 -1.856 1.00 0.00 H new ATOM 0 HA SER A 51 -10.412 4.397 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.863 5.071 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.609 5.156 -0.937 1.00 0.00 H new ATOM 0 HG SER A 51 -11.382 4.015 0.893 1.00 0.00 H new ATOM 766 N GLU A 52 -9.832 1.681 -1.224 1.00 0.00 N ATOM 767 CA GLU A 52 -8.889 0.577 -1.046 1.00 0.00 C ATOM 768 C GLU A 52 -8.500 -0.046 -2.386 1.00 0.00 C ATOM 769 O GLU A 52 -7.327 -0.046 -2.760 1.00 0.00 O ATOM 770 CB GLU A 52 -9.467 -0.496 -0.118 1.00 0.00 C ATOM 771 CG GLU A 52 -10.981 -0.614 -0.169 1.00 0.00 C ATOM 772 CD GLU A 52 -11.649 -0.068 1.077 1.00 0.00 C ATOM 773 OE1 GLU A 52 -11.310 1.063 1.485 1.00 0.00 O ATOM 774 OE2 GLU A 52 -12.513 -0.769 1.644 1.00 0.00 O ATOM 0 H GLU A 52 -10.618 1.673 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.991 0.990 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.030 -1.460 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.165 -0.276 0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.355 -0.078 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.256 -1.661 -0.296 1.00 0.00 H new ATOM 781 N LYS A 53 -9.485 -0.575 -3.108 1.00 0.00 N ATOM 782 CA LYS A 53 -9.227 -1.196 -4.406 1.00 0.00 C ATOM 783 C LYS A 53 -8.442 -0.251 -5.320 1.00 0.00 C ATOM 784 O LYS A 53 -7.405 -0.632 -5.871 1.00 0.00 O ATOM 785 CB LYS A 53 -10.536 -1.628 -5.072 1.00 0.00 C ATOM 786 CG LYS A 53 -11.477 -0.480 -5.378 1.00 0.00 C ATOM 787 CD LYS A 53 -11.418 -0.092 -6.845 1.00 0.00 C ATOM 788 CE LYS A 53 -12.674 0.645 -7.284 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.355 -0.044 -8.415 1.00 0.00 N ATOM 0 H LYS A 53 -10.463 -0.587 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.620 -2.085 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.305 -2.152 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.046 -2.339 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.496 -0.763 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.216 0.380 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.546 0.539 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.290 -0.987 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.361 0.726 -6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.414 1.661 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.266 0.421 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.755 0.006 -9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.520 -1.040 -8.166 1.00 0.00 H new ATOM 803 N VAL A 54 -8.915 0.990 -5.461 1.00 0.00 N ATOM 804 CA VAL A 54 -8.215 1.966 -6.289 1.00 0.00 C ATOM 805 C VAL A 54 -6.791 2.128 -5.773 1.00 0.00 C ATOM 806 O VAL A 54 -5.838 2.226 -6.546 1.00 0.00 O ATOM 807 CB VAL A 54 -8.924 3.340 -6.290 1.00 0.00 C ATOM 808 CG1 VAL A 54 -8.077 4.391 -6.996 1.00 0.00 C ATOM 809 CG2 VAL A 54 -10.294 3.239 -6.945 1.00 0.00 C ATOM 0 H VAL A 54 -9.767 1.336 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.211 1.597 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.057 3.648 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.599 5.348 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.120 4.492 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.905 4.086 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.775 4.217 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.181 2.901 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.909 2.527 -6.395 1.00 0.00 H new ATOM 819 N PHE A 55 -6.665 2.125 -4.450 1.00 0.00 N ATOM 820 CA PHE A 55 -5.369 2.243 -3.799 1.00 0.00 C ATOM 821 C PHE A 55 -4.490 1.068 -4.197 1.00 0.00 C ATOM 822 O PHE A 55 -3.320 1.237 -4.538 1.00 0.00 O ATOM 823 CB PHE A 55 -5.541 2.278 -2.278 1.00 0.00 C ATOM 824 CG PHE A 55 -4.472 3.052 -1.559 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.133 2.864 -1.865 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.808 3.968 -0.575 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.150 3.575 -1.203 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.829 4.682 0.090 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.499 4.486 -0.224 1.00 0.00 C ATOM 0 H PHE A 55 -7.451 2.041 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.894 3.171 -4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.512 2.714 -2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.551 1.256 -1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.855 2.154 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.847 4.126 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.110 3.419 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.104 5.393 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.733 5.043 0.294 1.00 0.00 H new ATOM 839 N ALA A 56 -5.074 -0.125 -4.165 1.00 0.00 N ATOM 840 CA ALA A 56 -4.358 -1.335 -4.534 1.00 0.00 C ATOM 841 C ALA A 56 -3.767 -1.202 -5.929 1.00 0.00 C ATOM 842 O ALA A 56 -2.605 -1.535 -6.157 1.00 0.00 O ATOM 843 CB ALA A 56 -5.282 -2.541 -4.461 1.00 0.00 C ATOM 0 H ALA A 56 -6.043 -0.277 -3.886 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.541 -1.481 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.731 -3.439 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.660 -2.649 -3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.118 -2.401 -5.146 1.00 0.00 H new ATOM 849 N GLN A 57 -4.575 -0.707 -6.860 1.00 0.00 N ATOM 850 CA GLN A 57 -4.120 -0.527 -8.234 1.00 0.00 C ATOM 851 C GLN A 57 -2.997 0.505 -8.309 1.00 0.00 C ATOM 852 O GLN A 57 -2.015 0.315 -9.028 1.00 0.00 O ATOM 853 CB GLN A 57 -5.284 -0.099 -9.132 1.00 0.00 C ATOM 854 CG GLN A 57 -6.419 -1.110 -9.191 1.00 0.00 C ATOM 855 CD GLN A 57 -5.928 -2.545 -9.252 1.00 0.00 C ATOM 856 OE1 GLN A 57 -5.446 -3.090 -8.259 1.00 0.00 O ATOM 857 NE2 GLN A 57 -6.045 -3.164 -10.421 1.00 0.00 N ATOM 0 H GLN A 57 -5.541 -0.425 -6.691 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.733 -1.483 -8.586 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.676 0.853 -8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.909 0.071 -10.141 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.056 -0.986 -8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.037 -0.905 -10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.451 -2.675 -11.219 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.729 -4.129 -10.521 1.00 0.00 H new ATOM 866 N THR A 58 -3.145 1.597 -7.563 1.00 0.00 N ATOM 867 CA THR A 58 -2.140 2.654 -7.556 1.00 0.00 C ATOM 868 C THR A 58 -0.804 2.129 -7.050 1.00 0.00 C ATOM 869 O THR A 58 0.209 2.209 -7.746 1.00 0.00 O ATOM 870 CB THR A 58 -2.597 3.832 -6.691 1.00 0.00 C ATOM 871 OG1 THR A 58 -2.426 3.542 -5.315 1.00 0.00 O ATOM 872 CG2 THR A 58 -4.047 4.210 -6.906 1.00 0.00 C ATOM 0 H THR A 58 -3.948 1.772 -6.958 1.00 0.00 H new ATOM 0 HA THR A 58 -2.014 2.999 -8.582 1.00 0.00 H new ATOM 0 HB THR A 58 -1.973 4.671 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.028 2.813 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.303 5.051 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.199 4.492 -7.948 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.684 3.360 -6.663 1.00 0.00 H new ATOM 880 N VAL A 59 -0.802 1.592 -5.835 1.00 0.00 N ATOM 881 CA VAL A 59 0.418 1.061 -5.250 1.00 0.00 C ATOM 882 C VAL A 59 0.921 -0.148 -6.033 1.00 0.00 C ATOM 883 O VAL A 59 2.092 -0.205 -6.404 1.00 0.00 O ATOM 884 CB VAL A 59 0.233 0.679 -3.768 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.840 -0.380 -3.607 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.547 0.201 -3.176 1.00 0.00 C ATOM 0 H VAL A 59 -1.628 1.514 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 59 1.161 1.857 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.090 1.569 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.949 -0.630 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.787 0.001 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.556 -1.273 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.399 -0.065 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.898 -0.672 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.289 0.996 -3.247 1.00 0.00 H new ATOM 896 N LEU A 60 0.037 -1.112 -6.300 1.00 0.00 N ATOM 897 CA LEU A 60 0.430 -2.298 -7.053 1.00 0.00 C ATOM 898 C LEU A 60 1.144 -1.898 -8.340 1.00 0.00 C ATOM 899 O LEU A 60 2.131 -2.520 -8.734 1.00 0.00 O ATOM 900 CB LEU A 60 -0.791 -3.160 -7.379 1.00 0.00 C ATOM 901 CG LEU A 60 -0.493 -4.396 -8.228 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.153 -5.584 -7.342 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.672 -4.721 -9.133 1.00 0.00 C ATOM 0 H LEU A 60 -0.941 -1.094 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 60 1.114 -2.882 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.252 -3.480 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.524 -2.545 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 60 0.371 -4.180 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.056 -6.454 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.725 -5.349 -6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.996 -5.801 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.441 -5.604 -9.729 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.555 -4.916 -8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.866 -3.877 -9.795 1.00 0.00 H new ATOM 915 N SER A 61 0.638 -0.853 -8.987 1.00 0.00 N ATOM 916 CA SER A 61 1.228 -0.364 -10.227 1.00 0.00 C ATOM 917 C SER A 61 2.608 0.243 -9.984 1.00 0.00 C ATOM 918 O SER A 61 3.583 -0.148 -10.625 1.00 0.00 O ATOM 919 CB SER A 61 0.317 0.671 -10.882 1.00 0.00 C ATOM 920 OG SER A 61 -0.929 0.101 -11.244 1.00 0.00 O ATOM 0 H SER A 61 -0.179 -0.329 -8.673 1.00 0.00 H new ATOM 0 HA SER A 61 1.341 -1.217 -10.896 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.154 1.502 -10.196 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.804 1.080 -11.767 1.00 0.00 H new ATOM 0 HG SER A 61 -1.628 0.436 -10.645 1.00 0.00 H new ATOM 926 N HIS A 62 2.695 1.194 -9.051 1.00 0.00 N ATOM 927 CA HIS A 62 3.965 1.828 -8.739 1.00 0.00 C ATOM 928 C HIS A 62 4.965 0.791 -8.237 1.00 0.00 C ATOM 929 O HIS A 62 6.177 1.007 -8.273 1.00 0.00 O ATOM 930 CB HIS A 62 3.758 2.918 -7.687 1.00 0.00 C ATOM 931 CG HIS A 62 3.832 4.307 -8.241 1.00 0.00 C ATOM 932 ND1 HIS A 62 4.660 4.659 -9.287 1.00 0.00 N ATOM 933 CD2 HIS A 62 3.176 5.439 -7.887 1.00 0.00 C ATOM 934 CE1 HIS A 62 4.511 5.945 -9.551 1.00 0.00 C ATOM 935 NE2 HIS A 62 3.616 6.441 -8.716 1.00 0.00 N ATOM 0 H HIS A 62 1.904 1.536 -8.505 1.00 0.00 H new ATOM 0 HA HIS A 62 4.365 2.283 -9.645 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.786 2.775 -7.215 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.511 2.806 -6.907 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.289 4.025 -9.780 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.443 5.535 -7.099 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.032 6.497 -10.319 1.00 0.00 H new ATOM 944 N VAL A 63 4.439 -0.337 -7.772 1.00 0.00 N ATOM 945 CA VAL A 63 5.261 -1.421 -7.262 1.00 0.00 C ATOM 946 C VAL A 63 5.227 -2.608 -8.213 1.00 0.00 C ATOM 947 O VAL A 63 4.890 -3.726 -7.821 1.00 0.00 O ATOM 948 CB VAL A 63 4.779 -1.881 -5.883 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.837 -2.697 -5.173 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.339 -0.697 -5.034 1.00 0.00 C ATOM 0 H VAL A 63 3.436 -0.522 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 63 6.280 -1.044 -7.177 1.00 0.00 H new ATOM 0 HB VAL A 63 3.913 -2.525 -6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.463 -3.008 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.076 -3.579 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.735 -2.093 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.002 -1.053 -4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.178 -0.014 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.522 -0.175 -5.533 1.00 0.00 H new ATOM 960 N ALA A 64 5.568 -2.358 -9.470 1.00 0.00 N ATOM 961 CA ALA A 64 5.567 -3.406 -10.481 1.00 0.00 C ATOM 962 C ALA A 64 6.841 -4.251 -10.412 1.00 0.00 C ATOM 963 O ALA A 64 7.387 -4.630 -11.448 1.00 0.00 O ATOM 964 CB ALA A 64 5.418 -2.793 -11.865 1.00 0.00 C ATOM 0 H ALA A 64 5.849 -1.439 -9.813 1.00 0.00 H new ATOM 0 HA ALA A 64 4.720 -4.063 -10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.418 -3.584 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.479 -2.241 -11.920 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.249 -2.114 -12.054 1.00 0.00 H new ATOM 970 N ASN A 65 7.305 -4.545 -9.188 1.00 0.00 N ATOM 971 CA ASN A 65 8.518 -5.347 -8.971 1.00 0.00 C ATOM 972 C ASN A 65 9.173 -5.005 -7.630 1.00 0.00 C ATOM 973 O ASN A 65 9.233 -5.839 -6.730 1.00 0.00 O ATOM 974 CB ASN A 65 9.541 -5.135 -10.095 1.00 0.00 C ATOM 975 CG ASN A 65 9.517 -6.252 -11.121 1.00 0.00 C ATOM 976 OD1 ASN A 65 8.620 -7.096 -11.116 1.00 0.00 O ATOM 977 ND2 ASN A 65 10.505 -6.262 -12.008 1.00 0.00 N ATOM 0 H ASN A 65 6.854 -4.236 -8.327 1.00 0.00 H new ATOM 0 HA ASN A 65 8.208 -6.392 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.339 -4.186 -10.591 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.540 -5.063 -9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.542 -6.989 -12.723 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.227 -5.543 -11.975 1.00 0.00 H new ATOM 984 N VAL A 66 9.662 -3.769 -7.512 1.00 0.00 N ATOM 985 CA VAL A 66 10.325 -3.292 -6.291 1.00 0.00 C ATOM 986 C VAL A 66 11.273 -4.336 -5.701 1.00 0.00 C ATOM 987 O VAL A 66 11.561 -5.353 -6.332 1.00 0.00 O ATOM 988 CB VAL A 66 9.299 -2.861 -5.237 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.479 -1.704 -5.778 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.426 -4.040 -4.828 1.00 0.00 C ATOM 0 H VAL A 66 9.611 -3.072 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 66 10.921 -2.427 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 66 9.814 -2.521 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.748 -1.395 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.138 -0.867 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.961 -2.018 -6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.704 -3.715 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.897 -4.421 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.052 -4.829 -4.410 1.00 0.00 H new ATOM 1000 N VAL A 67 11.779 -4.067 -4.497 1.00 0.00 N ATOM 1001 CA VAL A 67 12.703 -4.957 -3.844 1.00 0.00 C ATOM 1002 C VAL A 67 12.485 -4.955 -2.335 1.00 0.00 C ATOM 1003 O VAL A 67 13.324 -4.476 -1.571 1.00 0.00 O ATOM 1004 CB VAL A 67 14.139 -4.530 -4.122 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.521 -4.751 -5.578 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.359 -3.089 -3.700 1.00 0.00 C ATOM 0 H VAL A 67 11.554 -3.229 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 67 12.528 -5.958 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 67 14.797 -5.161 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.552 -4.434 -5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.425 -5.809 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.860 -4.168 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.390 -2.803 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.684 -2.440 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.161 -2.988 -2.633 1.00 0.00 H new ATOM 1016 N LEU A 68 11.350 -5.477 -1.918 1.00 0.00 N ATOM 1017 CA LEU A 68 11.000 -5.532 -0.512 1.00 0.00 C ATOM 1018 C LEU A 68 12.008 -6.341 0.296 1.00 0.00 C ATOM 1019 O LEU A 68 12.050 -7.568 0.212 1.00 0.00 O ATOM 1020 CB LEU A 68 9.603 -6.130 -0.361 1.00 0.00 C ATOM 1021 CG LEU A 68 8.564 -5.590 -1.347 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.064 -6.699 -2.259 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.404 -4.943 -0.606 1.00 0.00 C ATOM 0 H LEU A 68 10.646 -5.874 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 68 11.014 -4.515 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.671 -7.211 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.251 -5.944 0.654 1.00 0.00 H new ATOM 0 HG LEU A 68 9.043 -4.829 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.326 -6.295 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.901 -7.113 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.605 -7.485 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.677 -4.566 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.927 -5.681 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.775 -4.117 0.001 1.00 0.00 H new ATOM 1035 N THR A 69 12.805 -5.639 1.093 1.00 0.00 N ATOM 1036 CA THR A 69 13.804 -6.281 1.936 1.00 0.00 C ATOM 1037 C THR A 69 13.152 -6.838 3.195 1.00 0.00 C ATOM 1038 O THR A 69 11.948 -6.679 3.395 1.00 0.00 O ATOM 1039 CB THR A 69 14.907 -5.285 2.304 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.480 -4.429 3.349 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.339 -4.412 1.143 1.00 0.00 C ATOM 0 H THR A 69 12.778 -4.622 1.172 1.00 0.00 H new ATOM 0 HA THR A 69 14.251 -7.106 1.381 1.00 0.00 H new ATOM 0 HB THR A 69 15.756 -5.895 2.614 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.199 -3.801 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.123 -3.730 1.473 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.720 -5.040 0.338 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.486 -3.838 0.783 1.00 0.00 H new ATOM 1049 N GLN A 70 13.951 -7.498 4.035 1.00 0.00 N ATOM 1050 CA GLN A 70 13.450 -8.092 5.281 1.00 0.00 C ATOM 1051 C GLN A 70 12.354 -7.231 5.908 1.00 0.00 C ATOM 1052 O GLN A 70 11.380 -7.748 6.463 1.00 0.00 O ATOM 1053 CB GLN A 70 14.585 -8.304 6.302 1.00 0.00 C ATOM 1054 CG GLN A 70 15.929 -7.702 5.908 1.00 0.00 C ATOM 1055 CD GLN A 70 15.861 -6.204 5.679 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.017 -5.515 6.250 1.00 0.00 O ATOM 1057 NE2 GLN A 70 16.757 -5.693 4.842 1.00 0.00 N ATOM 0 H GLN A 70 14.949 -7.636 3.877 1.00 0.00 H new ATOM 0 HA GLN A 70 13.029 -9.063 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.279 -7.876 7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.716 -9.375 6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.659 -7.912 6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.286 -8.187 5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.439 -6.303 4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.763 -4.691 4.651 1.00 0.00 H new ATOM 1066 N GLU A 71 12.516 -5.917 5.804 1.00 0.00 N ATOM 1067 CA GLU A 71 11.545 -4.982 6.354 1.00 0.00 C ATOM 1068 C GLU A 71 10.233 -5.042 5.585 1.00 0.00 C ATOM 1069 O GLU A 71 9.202 -5.431 6.131 1.00 0.00 O ATOM 1070 CB GLU A 71 12.103 -3.558 6.323 1.00 0.00 C ATOM 1071 CG GLU A 71 11.588 -2.678 7.451 1.00 0.00 C ATOM 1072 CD GLU A 71 12.158 -3.070 8.800 1.00 0.00 C ATOM 1073 OE1 GLU A 71 13.389 -2.958 8.979 1.00 0.00 O ATOM 1074 OE2 GLU A 71 11.374 -3.490 9.676 1.00 0.00 O ATOM 0 H GLU A 71 13.312 -5.476 5.343 1.00 0.00 H new ATOM 0 HA GLU A 71 11.351 -5.267 7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.191 -3.602 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.848 -3.097 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.841 -1.639 7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.500 -2.740 7.488 1.00 0.00 H new ATOM 1081 N ASP A 72 10.278 -4.650 4.315 1.00 0.00 N ATOM 1082 CA ASP A 72 9.089 -4.652 3.473 1.00 0.00 C ATOM 1083 C ASP A 72 8.478 -6.052 3.372 1.00 0.00 C ATOM 1084 O ASP A 72 7.261 -6.194 3.270 1.00 0.00 O ATOM 1085 CB ASP A 72 9.417 -4.110 2.086 1.00 0.00 C ATOM 1086 CG ASP A 72 9.883 -2.669 2.124 1.00 0.00 C ATOM 1087 OD1 ASP A 72 9.131 -1.815 2.639 1.00 0.00 O ATOM 1088 OD2 ASP A 72 11.000 -2.393 1.639 1.00 0.00 O ATOM 0 H ASP A 72 11.125 -4.327 3.848 1.00 0.00 H new ATOM 0 HA ASP A 72 8.350 -4.000 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.192 -4.728 1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.535 -4.187 1.451 1.00 0.00 H new ATOM 1093 N THR A 73 9.314 -7.089 3.421 1.00 0.00 N ATOM 1094 CA THR A 73 8.804 -8.458 3.361 1.00 0.00 C ATOM 1095 C THR A 73 7.953 -8.717 4.596 1.00 0.00 C ATOM 1096 O THR A 73 6.752 -9.009 4.498 1.00 0.00 O ATOM 1097 CB THR A 73 9.944 -9.474 3.273 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.129 -8.954 3.848 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.263 -9.888 1.851 1.00 0.00 C ATOM 0 H THR A 73 10.328 -7.011 3.501 1.00 0.00 H new ATOM 0 HA THR A 73 8.199 -8.573 2.462 1.00 0.00 H new ATOM 0 HB THR A 73 9.595 -10.349 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.606 -8.415 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.080 -10.610 1.857 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.382 -10.341 1.398 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.557 -9.011 1.274 1.00 0.00 H new ATOM 1107 N ALA A 74 8.568 -8.548 5.768 1.00 0.00 N ATOM 1108 CA ALA A 74 7.846 -8.702 7.021 1.00 0.00 C ATOM 1109 C ALA A 74 6.651 -7.754 7.009 1.00 0.00 C ATOM 1110 O ALA A 74 5.620 -8.004 7.629 1.00 0.00 O ATOM 1111 CB ALA A 74 8.757 -8.405 8.203 1.00 0.00 C ATOM 0 H ALA A 74 9.554 -8.307 5.870 1.00 0.00 H new ATOM 0 HA ALA A 74 7.499 -9.730 7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.199 -8.525 9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.601 -9.095 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.125 -7.381 8.131 1.00 0.00 H new ATOM 1117 N LYS A 75 6.822 -6.665 6.262 1.00 0.00 N ATOM 1118 CA LYS A 75 5.804 -5.640 6.097 1.00 0.00 C ATOM 1119 C LYS A 75 4.546 -6.217 5.437 1.00 0.00 C ATOM 1120 O LYS A 75 3.435 -6.011 5.925 1.00 0.00 O ATOM 1121 CB LYS A 75 6.393 -4.514 5.245 1.00 0.00 C ATOM 1122 CG LYS A 75 5.865 -3.127 5.548 1.00 0.00 C ATOM 1123 CD LYS A 75 6.751 -2.390 6.539 1.00 0.00 C ATOM 1124 CE LYS A 75 8.074 -1.982 5.912 1.00 0.00 C ATOM 1125 NZ LYS A 75 7.884 -1.043 4.773 1.00 0.00 N ATOM 0 H LYS A 75 7.683 -6.471 5.750 1.00 0.00 H new ATOM 0 HA LYS A 75 5.508 -5.254 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.475 -4.509 5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.201 -4.737 4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.798 -2.553 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.855 -3.202 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.232 -1.503 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.939 -3.027 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.704 -1.513 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.601 -2.871 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.101 -1.531 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.898 -0.713 4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.520 -0.228 4.885 1.00 0.00 H new ATOM 1139 N LEU A 76 4.724 -6.947 4.329 1.00 0.00 N ATOM 1140 CA LEU A 76 3.588 -7.551 3.627 1.00 0.00 C ATOM 1141 C LEU A 76 2.964 -8.660 4.465 1.00 0.00 C ATOM 1142 O LEU A 76 1.753 -8.667 4.702 1.00 0.00 O ATOM 1143 CB LEU A 76 4.000 -8.114 2.264 1.00 0.00 C ATOM 1144 CG LEU A 76 3.856 -7.133 1.097 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.141 -7.060 0.288 1.00 0.00 C ATOM 1146 CD2 LEU A 76 2.686 -7.533 0.208 1.00 0.00 C ATOM 0 H LEU A 76 5.633 -7.132 3.904 1.00 0.00 H new ATOM 0 HA LEU A 76 2.854 -6.761 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.038 -8.441 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.398 -8.998 2.054 1.00 0.00 H new ATOM 0 HG LEU A 76 3.658 -6.143 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.013 -6.357 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.956 -6.724 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.376 -8.047 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.597 -6.826 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.856 -8.534 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.766 -7.526 0.792 1.00 0.00 H new ATOM 1158 N LEU A 77 3.793 -9.602 4.911 1.00 0.00 N ATOM 1159 CA LEU A 77 3.296 -10.713 5.718 1.00 0.00 C ATOM 1160 C LEU A 77 2.658 -10.211 7.010 1.00 0.00 C ATOM 1161 O LEU A 77 1.772 -10.861 7.564 1.00 0.00 O ATOM 1162 CB LEU A 77 4.413 -11.712 6.030 1.00 0.00 C ATOM 1163 CG LEU A 77 5.673 -11.110 6.644 1.00 0.00 C ATOM 1164 CD1 LEU A 77 5.544 -11.025 8.157 1.00 0.00 C ATOM 1165 CD2 LEU A 77 6.894 -11.931 6.255 1.00 0.00 C ATOM 0 H LEU A 77 4.797 -9.619 4.731 1.00 0.00 H new ATOM 0 HA LEU A 77 2.532 -11.226 5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.022 -12.468 6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.687 -12.225 5.108 1.00 0.00 H new ATOM 0 HG LEU A 77 5.798 -10.099 6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.453 -10.593 8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.691 -10.397 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.395 -12.024 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.786 -11.490 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.776 -12.953 6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.996 -11.939 5.170 1.00 0.00 H new ATOM 1177 N GLN A 78 3.100 -9.048 7.481 1.00 0.00 N ATOM 1178 CA GLN A 78 2.551 -8.464 8.702 1.00 0.00 C ATOM 1179 C GLN A 78 1.182 -7.858 8.431 1.00 0.00 C ATOM 1180 O GLN A 78 0.225 -8.092 9.168 1.00 0.00 O ATOM 1181 CB GLN A 78 3.490 -7.389 9.250 1.00 0.00 C ATOM 1182 CG GLN A 78 3.029 -6.795 10.571 1.00 0.00 C ATOM 1183 CD GLN A 78 4.086 -5.921 11.218 1.00 0.00 C ATOM 1184 OE1 GLN A 78 3.880 -4.610 11.170 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 5.075 -6.418 11.756 1.00 0.00 N flip ATOM 0 H GLN A 78 3.833 -8.494 7.039 1.00 0.00 H new ATOM 0 HA GLN A 78 2.449 -9.257 9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.483 -7.818 9.381 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.583 -6.590 8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.127 -6.206 10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.762 -7.601 11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.193 -7.431 11.770 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.777 -5.817 12.188 1.00 0.00 H new ATOM 1194 N SER A 79 1.101 -7.077 7.364 1.00 0.00 N ATOM 1195 CA SER A 79 -0.146 -6.431 6.980 1.00 0.00 C ATOM 1196 C SER A 79 -1.225 -7.466 6.675 1.00 0.00 C ATOM 1197 O SER A 79 -2.409 -7.231 6.915 1.00 0.00 O ATOM 1198 CB SER A 79 0.076 -5.535 5.761 1.00 0.00 C ATOM 1199 OG SER A 79 -0.913 -4.523 5.683 1.00 0.00 O ATOM 0 H SER A 79 1.887 -6.875 6.746 1.00 0.00 H new ATOM 0 HA SER A 79 -0.482 -5.819 7.817 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.064 -5.078 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.055 -6.139 4.854 1.00 0.00 H new ATOM 0 HG SER A 79 -1.320 -4.532 4.792 1.00 0.00 H new ATOM 1205 N THR A 80 -0.809 -8.610 6.136 1.00 0.00 N ATOM 1206 CA THR A 80 -1.747 -9.675 5.792 1.00 0.00 C ATOM 1207 C THR A 80 -2.061 -10.561 6.999 1.00 0.00 C ATOM 1208 O THR A 80 -3.222 -10.872 7.262 1.00 0.00 O ATOM 1209 CB THR A 80 -1.187 -10.525 4.649 1.00 0.00 C ATOM 1210 OG1 THR A 80 -2.171 -11.416 4.157 1.00 0.00 O ATOM 1211 CG2 THR A 80 0.019 -11.348 5.046 1.00 0.00 C ATOM 0 H THR A 80 0.167 -8.822 5.929 1.00 0.00 H new ATOM 0 HA THR A 80 -2.677 -9.206 5.470 1.00 0.00 H new ATOM 0 HB THR A 80 -0.882 -9.811 3.884 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.450 -11.133 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.364 -11.926 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.817 -10.686 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.254 -12.026 5.854 1.00 0.00 H new ATOM 1219 N VAL A 81 -1.022 -10.972 7.722 1.00 0.00 N ATOM 1220 CA VAL A 81 -1.200 -11.831 8.890 1.00 0.00 C ATOM 1221 C VAL A 81 -2.007 -11.133 9.983 1.00 0.00 C ATOM 1222 O VAL A 81 -2.722 -11.781 10.748 1.00 0.00 O ATOM 1223 CB VAL A 81 0.154 -12.289 9.473 1.00 0.00 C ATOM 1224 CG1 VAL A 81 0.897 -11.125 10.111 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -0.053 -13.411 10.479 1.00 0.00 C ATOM 0 H VAL A 81 -0.053 -10.726 7.521 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.751 -12.707 8.546 1.00 0.00 H new ATOM 0 HB VAL A 81 0.766 -12.667 8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.847 -11.476 10.513 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.083 -10.357 9.360 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.294 -10.707 10.917 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.911 -13.722 10.880 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.688 -13.058 11.292 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.531 -14.258 9.986 1.00 0.00 H new ATOM 1235 N LYS A 82 -1.888 -9.810 10.053 1.00 0.00 N ATOM 1236 CA LYS A 82 -2.608 -9.030 11.055 1.00 0.00 C ATOM 1237 C LYS A 82 -4.105 -9.323 11.006 1.00 0.00 C ATOM 1238 O LYS A 82 -4.688 -9.794 11.982 1.00 0.00 O ATOM 1239 CB LYS A 82 -2.363 -7.535 10.839 1.00 0.00 C ATOM 1240 CG LYS A 82 -3.039 -6.652 11.876 1.00 0.00 C ATOM 1241 CD LYS A 82 -2.081 -6.271 12.993 1.00 0.00 C ATOM 1242 CE LYS A 82 -2.048 -7.329 14.085 1.00 0.00 C ATOM 1243 NZ LYS A 82 -0.795 -8.133 14.042 1.00 0.00 N ATOM 0 H LYS A 82 -1.301 -9.256 9.429 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.234 -9.317 12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.290 -7.345 10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.720 -7.256 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.417 -5.749 11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.899 -7.174 12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.079 -6.137 12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.381 -5.315 13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.137 -6.848 15.059 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.908 -7.990 13.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.924 -9.007 14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.571 -8.374 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.014 -7.580 14.449 1.00 0.00 H new ATOM 1257 N HIS A 83 -4.718 -9.041 9.863 1.00 0.00 N ATOM 1258 CA HIS A 83 -6.146 -9.275 9.682 1.00 0.00 C ATOM 1259 C HIS A 83 -6.507 -9.282 8.201 1.00 0.00 C ATOM 1260 O HIS A 83 -6.868 -8.250 7.635 1.00 0.00 O ATOM 1261 CB HIS A 83 -6.958 -8.203 10.411 1.00 0.00 C ATOM 1262 CG HIS A 83 -8.356 -8.630 10.734 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -8.882 -8.585 12.008 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -9.341 -9.114 9.939 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -10.128 -9.023 11.984 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -10.430 -9.349 10.741 1.00 0.00 N ATOM 0 H HIS A 83 -4.248 -8.650 9.047 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.387 -10.251 10.104 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.445 -7.936 11.335 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.994 -7.304 9.795 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.281 -9.283 8.874 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.787 -9.101 12.836 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -11.328 -9.716 10.427 1.00 0.00 H new ATOM 1275 N ASN A 84 -6.403 -10.451 7.577 1.00 0.00 N ATOM 1276 CA ASN A 84 -6.715 -10.587 6.160 1.00 0.00 C ATOM 1277 C ASN A 84 -6.888 -12.051 5.774 1.00 0.00 C ATOM 1278 O ASN A 84 -6.730 -12.947 6.603 1.00 0.00 O ATOM 1279 CB ASN A 84 -5.609 -9.954 5.315 1.00 0.00 C ATOM 1280 CG ASN A 84 -6.137 -9.344 4.034 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -7.218 -9.698 3.563 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -5.375 -8.420 3.462 1.00 0.00 N ATOM 0 H ASN A 84 -6.106 -11.315 8.030 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.655 -10.070 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.105 -9.184 5.899 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.863 -10.711 5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.678 -7.973 2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.486 -8.157 3.887 1.00 0.00 H new ATOM 1289 N LEU A 85 -7.213 -12.284 4.507 1.00 0.00 N ATOM 1290 CA LEU A 85 -7.407 -13.637 4.000 1.00 0.00 C ATOM 1291 C LEU A 85 -6.294 -14.015 3.028 1.00 0.00 C ATOM 1292 O LEU A 85 -6.510 -14.780 2.088 1.00 0.00 O ATOM 1293 CB LEU A 85 -8.766 -13.750 3.305 1.00 0.00 C ATOM 1294 CG LEU A 85 -9.236 -15.179 3.028 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -9.290 -15.982 4.318 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -10.597 -15.168 2.348 1.00 0.00 C ATOM 0 H LEU A 85 -7.348 -11.551 3.811 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.378 -14.326 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.514 -13.251 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.719 -13.210 2.360 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.520 -15.654 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.626 -16.996 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.297 -16.017 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.985 -15.509 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.917 -16.192 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.323 -14.675 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.527 -14.628 1.403 1.00 0.00 H new ATOM 1308 N ASN A 86 -5.102 -13.470 3.256 1.00 0.00 N ATOM 1309 CA ASN A 86 -3.957 -13.748 2.394 1.00 0.00 C ATOM 1310 C ASN A 86 -4.287 -13.420 0.941 1.00 0.00 C ATOM 1311 O ASN A 86 -4.751 -14.278 0.191 1.00 0.00 O ATOM 1312 CB ASN A 86 -3.540 -15.214 2.520 1.00 0.00 C ATOM 1313 CG ASN A 86 -3.087 -15.570 3.924 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -3.709 -16.390 4.600 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -1.999 -14.953 4.370 1.00 0.00 N ATOM 0 H ASN A 86 -4.904 -12.835 4.029 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.127 -13.117 2.713 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.378 -15.852 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.732 -15.420 1.818 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.648 -15.152 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.514 -14.280 3.776 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.057 -12.168 0.555 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.344 -11.725 -0.806 1.00 0.00 C ATOM 1324 C ASN A 87 -3.093 -11.203 -1.511 1.00 0.00 C ATOM 1325 O ASN A 87 -3.111 -10.964 -2.722 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.426 -10.641 -0.797 1.00 0.00 C ATOM 1327 CG ASN A 87 -5.278 -9.674 0.361 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -5.225 -10.081 1.521 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -5.213 -8.385 0.050 1.00 0.00 N ATOM 0 H ASN A 87 -3.674 -11.444 1.163 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.703 -12.592 -1.360 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.387 -10.087 -1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.407 -11.113 -0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.115 -7.687 0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.261 -8.093 -0.926 1.00 0.00 H new ATOM 1336 N TYR A 88 -2.003 -11.019 -0.767 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.781 -10.525 -1.367 1.00 0.00 C ATOM 1338 C TYR A 88 0.195 -11.659 -1.621 1.00 0.00 C ATOM 1339 O TYR A 88 0.329 -12.575 -0.810 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.141 -9.463 -0.480 1.00 0.00 C ATOM 1341 CG TYR A 88 -1.130 -8.445 0.027 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.742 -7.558 -0.846 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -1.456 -8.373 1.374 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.650 -6.626 -0.393 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -2.365 -7.442 1.836 1.00 0.00 C ATOM 1346 CZ TYR A 88 -2.958 -6.571 0.947 1.00 0.00 C ATOM 1347 OH TYR A 88 -3.857 -5.637 1.398 1.00 0.00 O ATOM 0 H TYR A 88 -1.948 -11.203 0.235 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.034 -10.072 -2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.340 -9.948 0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.642 -8.953 -1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.503 -7.599 -1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.992 -9.055 2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.118 -5.942 -1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.610 -7.396 2.887 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.713 -6.073 1.590 1.00 0.00 H new ATOM 1357 N ASP A 89 0.864 -11.598 -2.762 1.00 0.00 N ATOM 1358 CA ASP A 89 1.806 -12.600 -3.148 1.00 0.00 C ATOM 1359 C ASP A 89 3.189 -11.950 -3.257 1.00 0.00 C ATOM 1360 O ASP A 89 3.303 -10.756 -3.552 1.00 0.00 O ATOM 1361 CB ASP A 89 1.300 -13.188 -4.470 1.00 0.00 C ATOM 1362 CG ASP A 89 2.395 -13.705 -5.383 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.439 -14.155 -4.866 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.201 -13.674 -6.615 1.00 0.00 O ATOM 0 H ASP A 89 0.758 -10.843 -3.439 1.00 0.00 H new ATOM 0 HA ASP A 89 1.901 -13.410 -2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.611 -14.003 -4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.732 -12.424 -5.000 1.00 0.00 H new ATOM 1369 N LEU A 90 4.234 -12.707 -2.997 1.00 0.00 N ATOM 1370 CA LEU A 90 5.579 -12.142 -3.059 1.00 0.00 C ATOM 1371 C LEU A 90 6.629 -13.167 -3.471 1.00 0.00 C ATOM 1372 O LEU A 90 6.427 -14.377 -3.368 1.00 0.00 O ATOM 1373 CB LEU A 90 5.994 -11.522 -1.711 1.00 0.00 C ATOM 1374 CG LEU A 90 4.877 -11.122 -0.751 1.00 0.00 C ATOM 1375 CD1 LEU A 90 4.099 -12.343 -0.282 1.00 0.00 C ATOM 1376 CD2 LEU A 90 5.460 -10.372 0.437 1.00 0.00 C ATOM 0 H LEU A 90 4.189 -13.694 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 90 5.535 -11.366 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.641 -12.233 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.594 -10.636 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 90 4.184 -10.467 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.309 -12.031 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.657 -12.846 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.773 -13.028 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.657 -10.089 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.170 -11.013 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.971 -9.475 0.086 1.00 0.00 H new ATOM 1388 N ARG A 91 7.769 -12.643 -3.907 1.00 0.00 N ATOM 1389 CA ARG A 91 8.913 -13.448 -4.315 1.00 0.00 C ATOM 1390 C ARG A 91 10.179 -12.752 -3.827 1.00 0.00 C ATOM 1391 O ARG A 91 10.288 -11.534 -3.936 1.00 0.00 O ATOM 1392 CB ARG A 91 8.940 -13.620 -5.837 1.00 0.00 C ATOM 1393 CG ARG A 91 9.323 -12.357 -6.591 1.00 0.00 C ATOM 1394 CD ARG A 91 9.422 -12.605 -8.089 1.00 0.00 C ATOM 1395 NE ARG A 91 9.945 -13.935 -8.397 1.00 0.00 N ATOM 1396 CZ ARG A 91 11.241 -14.238 -8.413 1.00 0.00 C ATOM 1397 NH1 ARG A 91 12.150 -13.311 -8.138 1.00 0.00 N ATOM 1398 NH2 ARG A 91 11.629 -15.472 -8.703 1.00 0.00 N ATOM 0 H ARG A 91 7.926 -11.638 -3.988 1.00 0.00 H new ATOM 0 HA ARG A 91 8.843 -14.444 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.645 -14.411 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.957 -13.949 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.583 -11.580 -6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.278 -11.987 -6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.436 -12.491 -8.540 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.067 -11.850 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 91 9.277 -14.675 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.857 -12.360 -7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.142 -13.549 -8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.935 -16.189 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.622 -15.705 -8.715 1.00 0.00 H new ATOM 1412 N SER A 92 11.113 -13.499 -3.252 1.00 0.00 N ATOM 1413 CA SER A 92 12.324 -12.880 -2.718 1.00 0.00 C ATOM 1414 C SER A 92 13.557 -13.099 -3.579 1.00 0.00 C ATOM 1415 O SER A 92 13.738 -14.145 -4.203 1.00 0.00 O ATOM 1416 CB SER A 92 12.601 -13.375 -1.301 1.00 0.00 C ATOM 1417 OG SER A 92 12.589 -14.791 -1.242 1.00 0.00 O ATOM 0 H SER A 92 11.061 -14.512 -3.144 1.00 0.00 H new ATOM 0 HA SER A 92 12.127 -11.808 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.569 -13.002 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.851 -12.973 -0.619 1.00 0.00 H new ATOM 0 HG SER A 92 12.771 -15.082 -0.324 1.00 0.00 H new ATOM 1423 N VAL A 93 14.410 -12.082 -3.565 1.00 0.00 N ATOM 1424 CA VAL A 93 15.663 -12.082 -4.287 1.00 0.00 C ATOM 1425 C VAL A 93 16.563 -10.994 -3.699 1.00 0.00 C ATOM 1426 O VAL A 93 16.704 -10.898 -2.475 1.00 0.00 O ATOM 1427 CB VAL A 93 15.456 -11.847 -5.797 1.00 0.00 C ATOM 1428 CG1 VAL A 93 14.879 -13.087 -6.461 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.562 -10.639 -6.033 1.00 0.00 C ATOM 0 H VAL A 93 14.242 -11.223 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 93 16.130 -13.061 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 93 16.427 -11.644 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.741 -12.899 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.564 -13.924 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.918 -13.328 -6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.428 -10.489 -7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.592 -10.808 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.025 -9.753 -5.598 1.00 0.00 H new ATOM 1439 N GLY A 94 17.150 -10.158 -4.551 1.00 0.00 N ATOM 1440 CA GLY A 94 17.999 -9.094 -4.066 1.00 0.00 C ATOM 1441 C GLY A 94 19.007 -9.572 -3.042 1.00 0.00 C ATOM 1442 O GLY A 94 18.977 -10.723 -2.610 1.00 0.00 O ATOM 0 H GLY A 94 17.051 -10.201 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.527 -8.644 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.380 -8.314 -3.624 1.00 0.00 H new ATOM 1446 N ASN A 95 19.867 -8.671 -2.611 1.00 0.00 N ATOM 1447 CA ASN A 95 20.839 -8.992 -1.575 1.00 0.00 C ATOM 1448 C ASN A 95 20.145 -8.797 -0.235 1.00 0.00 C ATOM 1449 O ASN A 95 20.665 -8.155 0.677 1.00 0.00 O ATOM 1450 CB ASN A 95 22.070 -8.088 -1.679 1.00 0.00 C ATOM 1451 CG ASN A 95 21.704 -6.618 -1.746 1.00 0.00 C ATOM 1452 OD1 ASN A 95 21.678 -6.021 -2.822 1.00 0.00 O ATOM 1453 ND2 ASN A 95 21.420 -6.026 -0.591 1.00 0.00 N ATOM 0 H ASN A 95 19.916 -7.713 -2.958 1.00 0.00 H new ATOM 0 HA ASN A 95 21.188 -10.019 -1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 95 22.717 -8.260 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 95 22.642 -8.358 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 95 21.168 -5.038 -0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 95 21.454 -6.560 0.278 1.00 0.00 H new ATOM 1460 N GLY A 96 18.922 -9.318 -0.171 1.00 0.00 N ATOM 1461 CA GLY A 96 18.084 -9.174 0.993 1.00 0.00 C ATOM 1462 C GLY A 96 16.875 -8.334 0.634 1.00 0.00 C ATOM 1463 O GLY A 96 16.491 -7.431 1.375 1.00 0.00 O ATOM 0 H GLY A 96 18.494 -9.849 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.768 -10.153 1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.642 -8.703 1.802 1.00 0.00 H new ATOM 1467 N ASN A 97 16.291 -8.626 -0.534 1.00 0.00 N ATOM 1468 CA ASN A 97 15.154 -7.907 -1.032 1.00 0.00 C ATOM 1469 C ASN A 97 14.213 -8.868 -1.716 1.00 0.00 C ATOM 1470 O ASN A 97 14.561 -10.020 -1.969 1.00 0.00 O ATOM 1471 CB ASN A 97 15.561 -6.804 -1.997 1.00 0.00 C ATOM 1472 CG ASN A 97 16.852 -6.105 -1.604 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.957 -6.840 -1.606 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 16.854 -4.912 -1.301 1.00 0.00 N flip ATOM 0 H ASN A 97 16.609 -9.374 -1.150 1.00 0.00 H new ATOM 0 HA ASN A 97 14.655 -7.435 -0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.675 -7.228 -2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.760 -6.067 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.983 -4.382 -1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.727 -4.454 -1.039 1.00 0.00 H new ATOM 1481 N SER A 98 13.017 -8.409 -1.990 1.00 0.00 N ATOM 1482 CA SER A 98 12.033 -9.243 -2.615 1.00 0.00 C ATOM 1483 C SER A 98 11.124 -8.402 -3.491 1.00 0.00 C ATOM 1484 O SER A 98 10.997 -7.202 -3.295 1.00 0.00 O ATOM 1485 CB SER A 98 11.247 -9.961 -1.526 1.00 0.00 C ATOM 1486 OG SER A 98 12.109 -10.423 -0.500 1.00 0.00 O ATOM 0 H SER A 98 12.705 -7.459 -1.788 1.00 0.00 H new ATOM 0 HA SER A 98 12.511 -9.985 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.503 -9.286 -1.104 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.706 -10.803 -1.958 1.00 0.00 H new ATOM 0 HG SER A 98 12.365 -9.672 0.075 1.00 0.00 H new ATOM 1492 N VAL A 99 10.498 -9.030 -4.458 1.00 0.00 N ATOM 1493 CA VAL A 99 9.610 -8.323 -5.355 1.00 0.00 C ATOM 1494 C VAL A 99 8.173 -8.629 -4.981 1.00 0.00 C ATOM 1495 O VAL A 99 7.882 -9.703 -4.448 1.00 0.00 O ATOM 1496 CB VAL A 99 9.886 -8.725 -6.814 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.649 -8.563 -7.691 1.00 0.00 C ATOM 1498 CG2 VAL A 99 11.053 -7.923 -7.373 1.00 0.00 C ATOM 0 H VAL A 99 10.586 -10.029 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 99 9.784 -7.251 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 99 10.151 -9.782 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.887 -8.857 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.847 -9.194 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.328 -7.521 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.236 -8.219 -8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.815 -6.860 -7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.945 -8.115 -6.777 1.00 0.00 H new ATOM 1508 N LEU A 100 7.275 -7.685 -5.230 1.00 0.00 N ATOM 1509 CA LEU A 100 5.890 -7.892 -4.871 1.00 0.00 C ATOM 1510 C LEU A 100 5.010 -8.217 -6.056 1.00 0.00 C ATOM 1511 O LEU A 100 4.918 -7.466 -7.027 1.00 0.00 O ATOM 1512 CB LEU A 100 5.309 -6.687 -4.154 1.00 0.00 C ATOM 1513 CG LEU A 100 3.770 -6.573 -4.218 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.161 -6.613 -2.826 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.346 -5.315 -4.965 1.00 0.00 C ATOM 0 H LEU A 100 7.480 -6.788 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 100 5.898 -8.753 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.613 -6.723 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.744 -5.783 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 100 3.394 -7.433 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.077 -6.531 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.421 -7.554 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.548 -5.782 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.258 -5.259 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.740 -4.437 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.736 -5.347 -5.982 1.00 0.00 H new ATOM 1527 N VAL A 101 4.293 -9.304 -5.891 1.00 0.00 N ATOM 1528 CA VAL A 101 3.306 -9.745 -6.841 1.00 0.00 C ATOM 1529 C VAL A 101 2.082 -10.046 -5.997 1.00 0.00 C ATOM 1530 O VAL A 101 2.056 -11.003 -5.239 1.00 0.00 O ATOM 1531 CB VAL A 101 3.760 -10.991 -7.633 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.430 -11.998 -6.712 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.589 -11.623 -8.375 1.00 0.00 C ATOM 0 H VAL A 101 4.383 -9.915 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 101 3.119 -8.988 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 101 4.491 -10.673 -8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.742 -12.868 -7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.302 -11.540 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.727 -12.309 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.936 -12.498 -8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.824 -11.924 -7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.168 -10.900 -9.073 1.00 0.00 H new ATOM 1543 N SER A 102 1.105 -9.180 -6.024 1.00 0.00 N ATOM 1544 CA SER A 102 -0.021 -9.376 -5.145 1.00 0.00 C ATOM 1545 C SER A 102 -1.315 -8.878 -5.707 1.00 0.00 C ATOM 1546 O SER A 102 -1.343 -8.080 -6.644 1.00 0.00 O ATOM 1547 CB SER A 102 0.248 -8.640 -3.832 1.00 0.00 C ATOM 1548 OG SER A 102 0.593 -7.287 -4.073 1.00 0.00 O ATOM 0 H SER A 102 1.061 -8.356 -6.624 1.00 0.00 H new ATOM 0 HA SER A 102 -0.125 -10.452 -5.002 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.636 -8.686 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.055 -9.135 -3.292 1.00 0.00 H new ATOM 0 HG SER A 102 0.166 -6.716 -3.401 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.383 -9.323 -5.059 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.722 -8.909 -5.388 1.00 0.00 C ATOM 1556 C LEU A 103 -4.750 -9.918 -4.925 1.00 0.00 C ATOM 1557 O LEU A 103 -5.349 -9.757 -3.863 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.902 -8.571 -6.878 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.945 -7.063 -7.222 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.379 -6.589 -7.387 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.247 -6.206 -6.166 1.00 0.00 C ATOM 0 H LEU A 103 -2.334 -9.986 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.891 -7.982 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.086 -9.030 -7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.826 -9.031 -7.227 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.408 -6.944 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.385 -5.526 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.856 -7.147 -8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.926 -6.753 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.305 -5.156 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.737 -6.346 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.201 -6.504 -6.088 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.970 -10.943 -5.720 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.957 -11.959 -5.367 1.00 0.00 C ATOM 1575 C ARG A 104 -7.290 -11.273 -5.046 1.00 0.00 C ATOM 1576 O ARG A 104 -8.082 -11.761 -4.241 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.458 -12.752 -4.155 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.836 -14.094 -4.506 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.466 -13.927 -5.146 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.381 -14.151 -4.190 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.167 -15.307 -3.564 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -2.943 -16.357 -3.804 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.167 -15.415 -2.699 1.00 0.00 N ATOM 0 H ARG A 104 -4.489 -11.101 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.102 -12.646 -6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.723 -12.152 -3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.293 -12.917 -3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.746 -14.700 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.493 -14.633 -5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.367 -14.626 -5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.381 -12.923 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.750 -13.375 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.710 -16.282 -4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.772 -17.239 -3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.564 -14.614 -2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.002 -16.299 -2.219 1.00 0.00 H new ATOM 1597 N SER A 105 -7.478 -10.109 -5.680 1.00 0.00 N ATOM 1598 CA SER A 105 -8.647 -9.240 -5.516 1.00 0.00 C ATOM 1599 C SER A 105 -8.139 -7.801 -5.502 1.00 0.00 C ATOM 1600 O SER A 105 -6.932 -7.586 -5.389 1.00 0.00 O ATOM 1601 CB SER A 105 -9.434 -9.552 -4.238 1.00 0.00 C ATOM 1602 OG SER A 105 -10.234 -10.711 -4.401 1.00 0.00 O ATOM 0 H SER A 105 -6.798 -9.735 -6.342 1.00 0.00 H new ATOM 0 HA SER A 105 -9.342 -9.405 -6.339 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.743 -9.697 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.067 -8.703 -3.981 1.00 0.00 H new ATOM 0 HG SER A 105 -9.659 -11.504 -4.427 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.017 -6.814 -5.648 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.550 -5.428 -5.680 1.00 0.00 C ATOM 1610 C ASP A 106 -8.838 -4.675 -4.383 1.00 0.00 C ATOM 1611 O ASP A 106 -9.951 -4.203 -4.157 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.204 -4.697 -6.853 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.194 -3.989 -7.732 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.353 -4.681 -8.343 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.247 -2.745 -7.810 1.00 0.00 O ATOM 0 H ASP A 106 -10.025 -6.938 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.467 -5.455 -5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.766 -5.412 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.920 -3.970 -6.470 1.00 0.00 H new ATOM 1620 N GLN A 107 -7.803 -4.528 -3.561 1.00 0.00 N ATOM 1621 CA GLN A 107 -7.903 -3.792 -2.309 1.00 0.00 C ATOM 1622 C GLN A 107 -6.518 -3.550 -1.723 1.00 0.00 C ATOM 1623 O GLN A 107 -5.548 -4.193 -2.126 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.796 -4.522 -1.315 1.00 0.00 C ATOM 1625 CG GLN A 107 -9.993 -3.694 -0.882 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.165 -4.540 -0.458 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -12.028 -4.873 -1.264 1.00 0.00 O ATOM 1628 NE2 GLN A 107 -11.198 -4.886 0.817 1.00 0.00 N ATOM 0 H GLN A 107 -6.877 -4.914 -3.744 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.361 -2.825 -2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.146 -5.452 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.210 -4.792 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.701 -3.046 -0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.297 -3.046 -1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.455 -4.583 1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.966 -5.456 1.171 1.00 0.00 H new ATOM 1637 N MET A 108 -6.423 -2.638 -0.765 1.00 0.00 N ATOM 1638 CA MET A 108 -5.143 -2.348 -0.133 1.00 0.00 C ATOM 1639 C MET A 108 -5.313 -1.547 1.155 1.00 0.00 C ATOM 1640 O MET A 108 -6.157 -0.656 1.243 1.00 0.00 O ATOM 1641 CB MET A 108 -4.230 -1.598 -1.104 1.00 0.00 C ATOM 1642 CG MET A 108 -2.753 -1.895 -0.903 1.00 0.00 C ATOM 1643 SD MET A 108 -2.057 -2.885 -2.241 1.00 0.00 S ATOM 1644 CE MET A 108 -1.278 -4.200 -1.317 1.00 0.00 C ATOM 0 H MET A 108 -7.208 -2.091 -0.411 1.00 0.00 H new ATOM 0 HA MET A 108 -4.684 -3.301 0.130 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.508 -1.857 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.395 -0.527 -0.991 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.204 -0.956 -0.827 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.617 -2.421 0.042 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.134 -5.064 -1.965 1.00 0.00 H new ATOM 0 HE2 MET A 108 -0.311 -3.860 -0.945 1.00 0.00 H new ATOM 0 HE3 MET A 108 -1.913 -4.479 -0.476 1.00 0.00 H new ATOM 1654 N THR A 109 -4.489 -1.871 2.147 1.00 0.00 N ATOM 1655 CA THR A 109 -4.520 -1.190 3.435 1.00 0.00 C ATOM 1656 C THR A 109 -3.345 -0.227 3.551 1.00 0.00 C ATOM 1657 O THR A 109 -2.395 -0.304 2.772 1.00 0.00 O ATOM 1658 CB THR A 109 -4.462 -2.203 4.577 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.708 -3.342 4.200 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.823 -2.680 5.025 1.00 0.00 C ATOM 0 H THR A 109 -3.786 -2.607 2.081 1.00 0.00 H new ATOM 0 HA THR A 109 -5.453 -0.630 3.503 1.00 0.00 H new ATOM 0 HB THR A 109 -3.991 -1.675 5.406 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.315 -4.054 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.708 -3.397 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.411 -1.830 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.334 -3.158 4.189 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.406 0.676 4.526 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.335 1.642 4.732 1.00 0.00 C ATOM 1670 C LEU A 110 -0.981 0.941 4.757 1.00 0.00 C ATOM 1671 O LEU A 110 -0.098 1.251 3.957 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.552 2.417 6.036 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.449 3.649 5.915 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.228 3.874 7.202 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.616 4.875 5.568 1.00 0.00 C ATOM 0 H LEU A 110 -4.183 0.758 5.182 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.348 2.348 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.985 1.742 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.581 2.730 6.421 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.166 3.479 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.860 4.755 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.851 3.003 7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.532 4.025 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.267 5.745 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.878 5.047 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.106 4.711 4.619 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.823 -0.008 5.675 1.00 0.00 N ATOM 1688 CA GLN A 111 0.428 -0.755 5.795 1.00 0.00 C ATOM 1689 C GLN A 111 0.864 -1.306 4.439 1.00 0.00 C ATOM 1690 O GLN A 111 1.901 -0.917 3.904 1.00 0.00 O ATOM 1691 CB GLN A 111 0.275 -1.900 6.801 1.00 0.00 C ATOM 1692 CG GLN A 111 1.478 -2.832 6.858 1.00 0.00 C ATOM 1693 CD GLN A 111 2.673 -2.205 7.551 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.288 -1.221 6.903 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 3.040 -2.601 8.658 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.542 -0.278 6.346 1.00 0.00 H new ATOM 0 HA GLN A 111 1.196 -0.070 6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.105 -1.480 7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.611 -2.481 6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.199 -3.747 7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.760 -3.117 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.539 -3.360 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.845 -2.170 9.113 1.00 0.00 H new ATOM 1704 N ASP A 112 0.066 -2.214 3.886 1.00 0.00 N ATOM 1705 CA ASP A 112 0.368 -2.817 2.589 1.00 0.00 C ATOM 1706 C ASP A 112 0.822 -1.759 1.588 1.00 0.00 C ATOM 1707 O ASP A 112 1.828 -1.929 0.889 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.860 -3.546 2.055 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.838 -5.021 2.394 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -0.191 -5.791 1.653 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -1.466 -5.407 3.402 1.00 0.00 O ATOM 0 H ASP A 112 -0.796 -2.550 4.315 1.00 0.00 H new ATOM 0 HA ASP A 112 1.180 -3.531 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.760 -3.092 2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.912 -3.424 0.973 1.00 0.00 H new ATOM 1716 N ALA A 113 0.081 -0.658 1.534 1.00 0.00 N ATOM 1717 CA ALA A 113 0.410 0.433 0.633 1.00 0.00 C ATOM 1718 C ALA A 113 1.839 0.910 0.874 1.00 0.00 C ATOM 1719 O ALA A 113 2.692 0.814 -0.007 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.571 1.582 0.811 1.00 0.00 C ATOM 0 H ALA A 113 -0.750 -0.500 2.104 1.00 0.00 H new ATOM 0 HA ALA A 113 0.335 0.070 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.311 2.391 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.581 1.235 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.525 1.944 1.838 1.00 0.00 H new ATOM 1726 N LYS A 114 2.093 1.412 2.081 1.00 0.00 N ATOM 1727 CA LYS A 114 3.420 1.897 2.450 1.00 0.00 C ATOM 1728 C LYS A 114 4.465 0.801 2.295 1.00 0.00 C ATOM 1729 O LYS A 114 5.639 1.082 2.064 1.00 0.00 O ATOM 1730 CB LYS A 114 3.424 2.408 3.890 1.00 0.00 C ATOM 1731 CG LYS A 114 2.986 1.364 4.909 1.00 0.00 C ATOM 1732 CD LYS A 114 2.854 1.948 6.309 1.00 0.00 C ATOM 1733 CE LYS A 114 2.036 3.223 6.294 1.00 0.00 C ATOM 1734 NZ LYS A 114 0.637 2.958 5.883 1.00 0.00 N ATOM 0 H LYS A 114 1.395 1.493 2.821 1.00 0.00 H new ATOM 0 HA LYS A 114 3.671 2.718 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.427 2.751 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.764 3.273 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.030 0.938 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.708 0.548 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.383 1.218 6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.844 2.153 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.047 3.677 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.489 3.941 5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.101 3.849 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.628 2.547 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.199 2.291 6.551 1.00 0.00 H new ATOM 1748 N VAL A 115 4.034 -0.450 2.417 1.00 0.00 N ATOM 1749 CA VAL A 115 4.946 -1.577 2.278 1.00 0.00 C ATOM 1750 C VAL A 115 5.562 -1.586 0.892 1.00 0.00 C ATOM 1751 O VAL A 115 6.785 -1.459 0.711 1.00 0.00 O ATOM 1752 CB VAL A 115 4.221 -2.924 2.485 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.169 -4.092 2.251 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.603 -3.007 3.868 1.00 0.00 C ATOM 0 H VAL A 115 3.066 -0.707 2.610 1.00 0.00 H new ATOM 0 HA VAL A 115 5.715 -1.460 3.041 1.00 0.00 H new ATOM 0 HB VAL A 115 3.416 -2.984 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.635 -5.030 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.550 -4.052 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.002 -4.031 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.099 -3.967 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.385 -2.913 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.880 -2.201 3.993 1.00 0.00 H new ATOM 1764 N LEU A 116 4.696 -1.742 -0.091 1.00 0.00 N ATOM 1765 CA LEU A 116 5.125 -1.789 -1.463 1.00 0.00 C ATOM 1766 C LEU A 116 5.635 -0.431 -1.897 1.00 0.00 C ATOM 1767 O LEU A 116 6.546 -0.347 -2.706 1.00 0.00 O ATOM 1768 CB LEU A 116 3.972 -2.235 -2.367 1.00 0.00 C ATOM 1769 CG LEU A 116 3.406 -3.645 -2.131 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.651 -4.132 -0.712 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.918 -3.667 -2.446 1.00 0.00 C ATOM 0 H LEU A 116 3.689 -1.838 0.043 1.00 0.00 H new ATOM 0 HA LEU A 116 5.935 -2.513 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.157 -1.520 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.310 -2.174 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 116 3.931 -4.326 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.234 -5.132 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.723 -4.161 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.172 -3.453 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.525 -4.669 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.399 -2.959 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.763 -3.388 -3.488 1.00 0.00 H new ATOM 1783 N LEU A 117 5.052 0.630 -1.349 1.00 0.00 N ATOM 1784 CA LEU A 117 5.482 1.979 -1.692 1.00 0.00 C ATOM 1785 C LEU A 117 6.817 2.287 -1.054 1.00 0.00 C ATOM 1786 O LEU A 117 7.572 3.120 -1.544 1.00 0.00 O ATOM 1787 CB LEU A 117 4.445 3.018 -1.274 1.00 0.00 C ATOM 1788 CG LEU A 117 3.588 3.537 -2.421 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.170 2.996 -2.323 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.581 5.058 -2.441 1.00 0.00 C ATOM 0 H LEU A 117 4.289 0.583 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 117 5.588 2.027 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.794 2.582 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.957 3.860 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 117 4.023 3.184 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.576 3.380 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.192 1.907 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.724 3.313 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.963 5.408 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.175 5.432 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.599 5.425 -2.568 1.00 0.00 H new ATOM 1802 N GLU A 118 7.128 1.573 0.009 1.00 0.00 N ATOM 1803 CA GLU A 118 8.404 1.738 0.662 1.00 0.00 C ATOM 1804 C GLU A 118 9.429 1.116 -0.252 1.00 0.00 C ATOM 1805 O GLU A 118 10.483 1.691 -0.533 1.00 0.00 O ATOM 1806 CB GLU A 118 8.417 1.059 2.035 1.00 0.00 C ATOM 1807 CG GLU A 118 9.779 1.073 2.712 1.00 0.00 C ATOM 1808 CD GLU A 118 9.981 2.291 3.591 1.00 0.00 C ATOM 1809 OE1 GLU A 118 10.043 3.412 3.046 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.076 2.124 4.825 1.00 0.00 O ATOM 0 H GLU A 118 6.516 0.877 0.435 1.00 0.00 H new ATOM 0 HA GLU A 118 8.617 2.792 0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.694 1.555 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.088 0.026 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.890 0.172 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.559 1.045 1.951 1.00 0.00 H new ATOM 1817 N ALA A 119 9.063 -0.053 -0.770 1.00 0.00 N ATOM 1818 CA ALA A 119 9.912 -0.752 -1.710 1.00 0.00 C ATOM 1819 C ALA A 119 9.839 -0.080 -3.071 1.00 0.00 C ATOM 1820 O ALA A 119 10.745 -0.208 -3.890 1.00 0.00 O ATOM 1821 CB ALA A 119 9.517 -2.218 -1.807 1.00 0.00 C ATOM 0 H ALA A 119 8.187 -0.529 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 119 10.941 -0.708 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.169 -2.724 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.616 -2.687 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.483 -2.295 -2.143 1.00 0.00 H new ATOM 1827 N ALA A 120 8.753 0.648 -3.300 1.00 0.00 N ATOM 1828 CA ALA A 120 8.557 1.345 -4.552 1.00 0.00 C ATOM 1829 C ALA A 120 9.355 2.633 -4.573 1.00 0.00 C ATOM 1830 O ALA A 120 10.089 2.907 -5.521 1.00 0.00 O ATOM 1831 CB ALA A 120 7.084 1.630 -4.789 1.00 0.00 C ATOM 0 H ALA A 120 7.995 0.767 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 120 8.913 0.702 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.963 2.155 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.532 0.691 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.698 2.250 -3.979 1.00 0.00 H new ATOM 1837 N LEU A 121 9.213 3.422 -3.516 1.00 0.00 N ATOM 1838 CA LEU A 121 9.928 4.678 -3.420 1.00 0.00 C ATOM 1839 C LEU A 121 11.433 4.416 -3.366 1.00 0.00 C ATOM 1840 O LEU A 121 12.226 5.162 -3.939 1.00 0.00 O ATOM 1841 CB LEU A 121 9.456 5.478 -2.198 1.00 0.00 C ATOM 1842 CG LEU A 121 10.522 5.868 -1.172 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.312 7.296 -0.693 1.00 0.00 C ATOM 1844 CD2 LEU A 121 10.472 4.904 -0.013 1.00 0.00 C ATOM 0 H LEU A 121 8.612 3.212 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 121 9.716 5.277 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 121 8.978 6.391 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.690 4.895 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 121 11.505 5.817 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.081 7.552 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.375 7.977 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.329 7.383 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 121 11.230 5.178 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.486 4.944 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 121 10.663 3.893 -0.372 1.00 0.00 H new ATOM 1856 N ARG A 122 11.817 3.351 -2.657 1.00 0.00 N ATOM 1857 CA ARG A 122 13.226 2.993 -2.509 1.00 0.00 C ATOM 1858 C ARG A 122 13.777 2.258 -3.733 1.00 0.00 C ATOM 1859 O ARG A 122 14.957 2.391 -4.058 1.00 0.00 O ATOM 1860 CB ARG A 122 13.414 2.149 -1.241 1.00 0.00 C ATOM 1861 CG ARG A 122 14.027 0.782 -1.487 1.00 0.00 C ATOM 1862 CD ARG A 122 13.690 -0.209 -0.382 1.00 0.00 C ATOM 1863 NE ARG A 122 13.469 0.446 0.907 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.424 1.061 1.601 1.00 0.00 C ATOM 1865 NH1 ARG A 122 15.667 1.105 1.137 1.00 0.00 N ATOM 1866 NH2 ARG A 122 14.136 1.633 2.762 1.00 0.00 N ATOM 0 H ARG A 122 11.171 2.724 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 122 13.794 3.919 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 122 14.047 2.698 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.445 2.019 -0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 122 13.672 0.393 -2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 122 15.110 0.881 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.797 -0.769 -0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.501 -0.931 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 122 12.527 0.431 1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 122 15.894 0.666 0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 122 16.395 1.578 1.673 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.183 1.602 3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.868 2.104 3.294 1.00 0.00 H new ATOM 1880 N GLN A 123 12.945 1.453 -4.386 1.00 0.00 N ATOM 1881 CA GLN A 123 13.402 0.677 -5.537 1.00 0.00 C ATOM 1882 C GLN A 123 13.126 1.357 -6.875 1.00 0.00 C ATOM 1883 O GLN A 123 13.742 1.001 -7.881 1.00 0.00 O ATOM 1884 CB GLN A 123 12.754 -0.705 -5.528 1.00 0.00 C ATOM 1885 CG GLN A 123 13.538 -1.750 -6.301 1.00 0.00 C ATOM 1886 CD GLN A 123 13.271 -1.697 -7.793 1.00 0.00 C ATOM 1887 OE1 GLN A 123 12.123 -1.612 -8.227 1.00 0.00 O ATOM 1888 NE2 GLN A 123 14.335 -1.747 -8.586 1.00 0.00 N ATOM 0 H GLN A 123 11.963 1.321 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 123 14.484 0.593 -5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.642 -1.037 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 123 11.752 -0.630 -5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.603 -1.605 -6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.283 -2.741 -5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 123 15.269 -1.817 -8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 123 14.218 -1.715 -9.599 1.00 0.00 H new ATOM 1897 N GLU A 124 12.202 2.313 -6.915 1.00 0.00 N ATOM 1898 CA GLU A 124 11.894 2.971 -8.183 1.00 0.00 C ATOM 1899 C GLU A 124 12.705 4.248 -8.375 1.00 0.00 C ATOM 1900 O GLU A 124 13.591 4.306 -9.228 1.00 0.00 O ATOM 1901 CB GLU A 124 10.401 3.302 -8.248 1.00 0.00 C ATOM 1902 CG GLU A 124 9.502 2.080 -8.157 1.00 0.00 C ATOM 1903 CD GLU A 124 9.665 1.149 -9.343 1.00 0.00 C ATOM 1904 OE1 GLU A 124 10.533 0.253 -9.280 1.00 0.00 O ATOM 1905 OE2 GLU A 124 8.925 1.316 -10.334 1.00 0.00 O ATOM 0 H GLU A 124 11.667 2.643 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 124 12.160 2.280 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.153 3.986 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.194 3.826 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.725 1.536 -7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.463 2.402 -8.092 1.00 0.00 H new ATOM 1912 N SER A 125 12.412 5.263 -7.574 1.00 0.00 N ATOM 1913 CA SER A 125 13.134 6.527 -7.658 1.00 0.00 C ATOM 1914 C SER A 125 14.219 6.615 -6.597 1.00 0.00 C ATOM 1915 O SER A 125 15.412 6.669 -6.896 1.00 0.00 O ATOM 1916 CB SER A 125 12.168 7.699 -7.513 1.00 0.00 C ATOM 1917 OG SER A 125 12.678 8.863 -8.140 1.00 0.00 O ATOM 0 H SER A 125 11.683 5.238 -6.861 1.00 0.00 H new ATOM 0 HA SER A 125 13.611 6.574 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.206 7.437 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.991 7.900 -6.456 1.00 0.00 H new ATOM 0 HG SER A 125 11.993 9.245 -8.728 1.00 0.00 H new ATOM 1923 N GLY A 126 13.770 6.647 -5.350 1.00 0.00 N ATOM 1924 CA GLY A 126 14.662 6.751 -4.216 1.00 0.00 C ATOM 1925 C GLY A 126 14.691 8.137 -3.660 1.00 0.00 C ATOM 1926 O GLY A 126 15.413 9.006 -4.150 1.00 0.00 O ATOM 0 H GLY A 126 12.782 6.602 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 126 14.346 6.054 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.668 6.459 -4.517 1.00 0.00 H new ATOM 1930 N ALA A 127 13.854 8.360 -2.651 1.00 0.00 N ATOM 1931 CA ALA A 127 13.736 9.671 -2.053 1.00 0.00 C ATOM 1932 C ALA A 127 13.478 10.685 -3.153 1.00 0.00 C ATOM 1933 O ALA A 127 13.740 11.878 -2.996 1.00 0.00 O ATOM 1934 CB ALA A 127 14.993 10.024 -1.271 1.00 0.00 C ATOM 0 H ALA A 127 13.253 7.648 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 127 12.904 9.679 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 127 14.881 11.015 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 127 15.148 9.290 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 127 15.852 10.020 -1.942 1.00 0.00 H new ATOM 1940 N ARG A 128 12.970 10.188 -4.286 1.00 0.00 N ATOM 1941 CA ARG A 128 12.692 11.039 -5.415 1.00 0.00 C ATOM 1942 C ARG A 128 11.531 10.525 -6.267 1.00 0.00 C ATOM 1943 O ARG A 128 11.365 10.941 -7.413 1.00 0.00 O ATOM 1944 CB ARG A 128 13.939 11.202 -6.277 1.00 0.00 C ATOM 1945 CG ARG A 128 14.298 12.647 -6.543 1.00 0.00 C ATOM 1946 CD ARG A 128 15.791 12.828 -6.764 1.00 0.00 C ATOM 1947 NE ARG A 128 16.531 12.865 -5.504 1.00 0.00 N ATOM 1948 CZ ARG A 128 17.143 11.811 -4.965 1.00 0.00 C ATOM 1949 NH1 ARG A 128 17.107 10.627 -5.566 1.00 0.00 N ATOM 1950 NH2 ARG A 128 17.793 11.942 -3.817 1.00 0.00 N ATOM 0 H ARG A 128 12.749 9.203 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 128 12.395 12.008 -5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 128 14.779 10.711 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.784 10.692 -7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.756 13.000 -7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 128 13.978 13.261 -5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 128 16.167 12.013 -7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 128 15.966 13.752 -7.315 1.00 0.00 H new ATOM 0 HE ARG A 128 16.582 13.754 -5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.608 10.518 -6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 128 17.579 9.827 -5.145 1.00 0.00 H new ATOM 0 HH21 ARG A 128 17.824 12.848 -3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 128 18.262 11.137 -3.402 1.00 0.00 H new ATOM 1964 N GLY A 129 10.734 9.625 -5.707 1.00 0.00 N ATOM 1965 CA GLY A 129 9.602 9.079 -6.435 1.00 0.00 C ATOM 1966 C GLY A 129 8.547 10.123 -6.740 1.00 0.00 C ATOM 1967 O GLY A 129 7.494 10.158 -6.103 1.00 0.00 O ATOM 0 H GLY A 129 10.850 9.262 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.953 8.639 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.154 8.274 -5.852 1.00 0.00 H new ATOM 1971 N SER A 130 8.832 10.972 -7.720 1.00 0.00 N ATOM 1972 CA SER A 130 7.904 12.023 -8.119 1.00 0.00 C ATOM 1973 C SER A 130 7.191 11.654 -9.416 1.00 0.00 C ATOM 1974 O SER A 130 7.808 10.963 -10.253 1.00 0.00 O ATOM 1975 CB SER A 130 8.648 13.349 -8.293 1.00 0.00 C ATOM 1976 OG SER A 130 9.342 13.704 -7.110 1.00 0.00 O ATOM 0 H SER A 130 9.701 10.953 -8.254 1.00 0.00 H new ATOM 0 HA SER A 130 7.157 12.133 -7.333 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.352 13.268 -9.121 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.940 14.136 -8.553 1.00 0.00 H new ATOM 0 HG SER A 130 9.810 14.554 -7.248 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -14.021 12.809 -7.408 1.00 0.00 C HETATM 1984 O ACE B 201 -15.236 12.977 -7.523 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -13.412 11.416 -7.523 1.00 0.00 C HETATM 0 H1 ACE B 201 -12.700 11.397 -8.348 1.00 0.00 H new HETATM 0 H2 ACE B 201 -12.898 11.166 -6.595 1.00 0.00 H new HETATM 0 H3 ACE B 201 -14.202 10.688 -7.708 1.00 0.00 H new ATOM 1989 N ASP B 202 -13.174 13.807 -7.181 1.00 0.00 N ATOM 1990 CA ASP B 202 -12.280 14.303 -8.221 1.00 0.00 C ATOM 1991 C ASP B 202 -10.845 14.385 -7.712 1.00 0.00 C ATOM 1992 O ASP B 202 -10.074 15.247 -8.133 1.00 0.00 O ATOM 1993 CB ASP B 202 -12.741 15.679 -8.705 1.00 0.00 C ATOM 1994 CG ASP B 202 -12.456 15.899 -10.178 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -11.267 15.892 -10.560 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -13.421 16.080 -10.949 1.00 0.00 O ATOM 0 H ASP B 202 -13.088 14.289 -6.286 1.00 0.00 H new ATOM 0 HA ASP B 202 -12.311 13.603 -9.056 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -13.811 15.785 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -12.242 16.452 -8.122 1.00 0.00 H new ATOM 2001 N GLU B 203 -10.494 13.482 -6.802 1.00 0.00 N ATOM 2002 CA GLU B 203 -9.152 13.448 -6.232 1.00 0.00 C ATOM 2003 C GLU B 203 -8.853 14.734 -5.467 1.00 0.00 C ATOM 2004 O GLU B 203 -8.914 15.829 -6.025 1.00 0.00 O ATOM 2005 CB GLU B 203 -8.110 13.242 -7.332 1.00 0.00 C ATOM 2006 CG GLU B 203 -7.789 11.781 -7.599 1.00 0.00 C ATOM 2007 CD GLU B 203 -8.768 11.135 -8.560 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -8.983 11.697 -9.654 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -9.319 10.068 -8.218 1.00 0.00 O ATOM 0 H GLU B 203 -11.122 12.763 -6.443 1.00 0.00 H new ATOM 0 HA GLU B 203 -9.103 12.611 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -8.470 13.700 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -7.193 13.762 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -6.781 11.703 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -7.796 11.233 -6.657 1.00 0.00 H new HETATM 2016 N PTR B 204 -8.527 14.592 -4.186 1.00 0.00 N HETATM 2017 CA PTR B 204 -8.216 15.743 -3.346 1.00 0.00 C HETATM 2018 C PTR B 204 -7.036 16.525 -3.912 1.00 0.00 C HETATM 2019 O PTR B 204 -7.091 17.748 -4.038 1.00 0.00 O HETATM 2020 CB PTR B 204 -7.898 15.286 -1.921 1.00 0.00 C HETATM 2021 CG PTR B 204 -9.014 14.498 -1.273 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -8.774 13.252 -0.709 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -10.308 15.002 -1.225 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -9.792 12.530 -0.116 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -11.331 14.286 -0.634 1.00 0.00 C HETATM 2026 CZ PTR B 204 -11.068 13.051 -0.081 1.00 0.00 C HETATM 2027 OH PTR B 204 -12.085 12.336 0.509 1.00 0.00 O HETATM 2028 P PTR B 204 -12.948 13.049 1.596 1.00 0.00 P HETATM 2029 O1P PTR B 204 -13.517 11.897 2.465 1.00 0.00 O HETATM 2030 O2P PTR B 204 -14.108 13.709 0.807 1.00 0.00 O HETATM 2031 O3P PTR B 204 -12.161 14.042 2.401 1.00 0.00 O HETATM 0 HE2 PTR B 204 -12.341 14.695 -0.605 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -9.587 11.553 0.322 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -10.519 15.978 -1.661 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -7.766 12.837 -0.734 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -6.996 14.675 -1.938 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -7.679 16.161 -1.308 1.00 0.00 H new HETATM 0 HA PTR B 204 -9.089 16.396 -3.328 1.00 0.00 H new ATOM 2040 N ASP B 205 -5.969 15.809 -4.253 1.00 0.00 N ATOM 2041 CA ASP B 205 -4.773 16.434 -4.807 1.00 0.00 C ATOM 2042 C ASP B 205 -4.218 17.485 -3.851 1.00 0.00 C ATOM 2043 O ASP B 205 -3.747 18.539 -4.276 1.00 0.00 O ATOM 2044 CB ASP B 205 -5.088 17.070 -6.163 1.00 0.00 C ATOM 2045 CG ASP B 205 -4.117 16.638 -7.243 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -4.290 15.526 -7.786 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -3.183 17.410 -7.546 1.00 0.00 O ATOM 0 H ASP B 205 -5.908 14.796 -4.155 1.00 0.00 H new ATOM 0 HA ASP B 205 -4.017 15.661 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -6.101 16.801 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -5.061 18.155 -6.067 1.00 0.00 H new ATOM 2052 N ASP B 206 -4.280 17.190 -2.557 1.00 0.00 N ATOM 2053 CA ASP B 206 -3.786 18.109 -1.540 1.00 0.00 C ATOM 2054 C ASP B 206 -2.799 17.412 -0.606 1.00 0.00 C ATOM 2055 O ASP B 206 -3.002 17.370 0.607 1.00 0.00 O ATOM 2056 CB ASP B 206 -4.953 18.686 -0.735 1.00 0.00 C ATOM 2057 CG ASP B 206 -4.499 19.700 0.298 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -3.562 20.472 0.001 1.00 0.00 O ATOM 2059 OD2 ASP B 206 -5.081 19.723 1.403 1.00 0.00 O ATOM 0 H ASP B 206 -4.668 16.322 -2.188 1.00 0.00 H new ATOM 0 HA ASP B 206 -3.264 18.923 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -5.662 19.158 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -5.482 17.875 -0.235 1.00 0.00 H new ATOM 2064 N PRO B 207 -1.705 16.860 -1.160 1.00 0.00 N ATOM 2065 CA PRO B 207 -0.682 16.173 -0.368 1.00 0.00 C ATOM 2066 C PRO B 207 -0.164 17.050 0.768 1.00 0.00 C ATOM 2067 O PRO B 207 -0.134 18.275 0.653 1.00 0.00 O ATOM 2068 CB PRO B 207 0.439 15.882 -1.379 1.00 0.00 C ATOM 2069 CG PRO B 207 0.120 16.711 -2.579 1.00 0.00 C ATOM 2070 CD PRO B 207 -1.371 16.869 -2.590 1.00 0.00 C ATOM 0 HA PRO B 207 -1.072 15.274 0.109 1.00 0.00 H new ATOM 0 HB2 PRO B 207 1.415 16.144 -0.969 1.00 0.00 H new ATOM 0 HB3 PRO B 207 0.474 14.822 -1.632 1.00 0.00 H new ATOM 0 HG2 PRO B 207 0.614 17.681 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO B 207 0.467 16.226 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO B 207 -1.677 17.798 -3.072 1.00 0.00 H new ATOM 0 HD3 PRO B 207 -1.861 16.056 -3.126 1.00 0.00 H new ATOM 2078 N PHE B 208 0.240 16.417 1.864 1.00 0.00 N ATOM 2079 CA PHE B 208 0.754 17.147 3.019 1.00 0.00 C ATOM 2080 C PHE B 208 2.018 17.929 2.655 1.00 0.00 C ATOM 2081 O PHE B 208 1.976 18.839 1.827 1.00 0.00 O ATOM 2082 CB PHE B 208 1.030 16.184 4.183 1.00 0.00 C ATOM 2083 CG PHE B 208 1.935 15.024 3.845 1.00 0.00 C ATOM 2084 CD1 PHE B 208 2.520 14.902 2.588 1.00 0.00 C ATOM 2085 CD2 PHE B 208 2.204 14.050 4.797 1.00 0.00 C ATOM 2086 CE1 PHE B 208 3.349 13.839 2.295 1.00 0.00 C ATOM 2087 CE2 PHE B 208 3.034 12.986 4.504 1.00 0.00 C ATOM 2088 CZ PHE B 208 3.606 12.881 3.253 1.00 0.00 C ATOM 0 H PHE B 208 0.222 15.404 1.978 1.00 0.00 H new ATOM 0 HA PHE B 208 -0.005 17.863 3.334 1.00 0.00 H new ATOM 0 HB2 PHE B 208 1.475 16.747 5.004 1.00 0.00 H new ATOM 0 HB3 PHE B 208 0.079 15.792 4.544 1.00 0.00 H new ATOM 0 HD1 PHE B 208 2.323 15.649 1.833 1.00 0.00 H new ATOM 0 HD2 PHE B 208 1.759 14.125 5.778 1.00 0.00 H new ATOM 0 HE1 PHE B 208 3.797 13.757 1.316 1.00 0.00 H new ATOM 0 HE2 PHE B 208 3.235 12.236 5.254 1.00 0.00 H new ATOM 0 HZ PHE B 208 4.255 12.049 3.024 1.00 0.00 H new HETATM 2098 N NH2 B 209 3.142 17.579 3.273 1.00 0.00 N TER 2101 NH2 B 209