USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 0.0892 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.25 K(o=-1.2,f=-7.5!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 149:sc= 0.313 USER MOD Single : A 20 THR OG1 : rot 35:sc= 0.0457 USER MOD Single : A 21 CYS SG : rot 140:sc= -0.138 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.29) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.0293 (180deg=-0.263) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc=-0.00294 (180deg=-0.124) USER MOD Single : A 35 GLN : amide:sc= -0.176 X(o=-0.18,f=0.085) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -120:sc= -2.19 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 44 ASN : amide:sc= -5.66! C(o=-5.7!,f=-15!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 64 SER OG : rot 130:sc=-0.00218 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 55:sc= -1.8 USER MOD Single : A 74 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.7) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00305 USER MOD Single : A 80 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.063) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -144:sc= -1.66 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.522 14.319 -26.968 1.00 0.00 N ATOM 2 CA GLY A 1 -9.278 13.394 -27.792 1.00 0.00 C ATOM 3 C GLY A 1 -8.685 11.999 -27.790 1.00 0.00 C ATOM 4 O GLY A 1 -7.817 11.685 -28.604 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.967 15.258 -27.002 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.509 13.978 -25.986 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.547 14.385 -27.325 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.306 13.349 -27.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.314 13.769 -28.815 1.00 0.00 H new ATOM 8 N SER A 2 -9.153 11.160 -26.871 1.00 0.00 N ATOM 9 CA SER A 2 -8.659 9.792 -26.763 1.00 0.00 C ATOM 10 C SER A 2 -9.206 8.926 -27.894 1.00 0.00 C ATOM 11 O SER A 2 -10.400 8.958 -28.194 1.00 0.00 O ATOM 12 CB SER A 2 -9.050 9.192 -25.411 1.00 0.00 C ATOM 13 OG SER A 2 -10.450 8.991 -25.327 1.00 0.00 O ATOM 0 H SER A 2 -9.873 11.403 -26.191 1.00 0.00 H new ATOM 0 HA SER A 2 -7.572 9.817 -26.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.534 8.242 -25.268 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.726 9.855 -24.608 1.00 0.00 H new ATOM 0 HG SER A 2 -10.830 8.958 -26.230 1.00 0.00 H new ATOM 19 N SER A 3 -8.324 8.152 -28.517 1.00 0.00 N ATOM 20 CA SER A 3 -8.717 7.279 -29.618 1.00 0.00 C ATOM 21 C SER A 3 -8.418 5.820 -29.287 1.00 0.00 C ATOM 22 O SER A 3 -7.260 5.410 -29.224 1.00 0.00 O ATOM 23 CB SER A 3 -7.988 7.682 -30.901 1.00 0.00 C ATOM 24 OG SER A 3 -8.599 8.811 -31.502 1.00 0.00 O ATOM 0 H SER A 3 -7.333 8.111 -28.279 1.00 0.00 H new ATOM 0 HA SER A 3 -9.791 7.387 -29.769 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.945 7.906 -30.675 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.990 6.847 -31.602 1.00 0.00 H new ATOM 0 HG SER A 3 -8.113 9.050 -32.319 1.00 0.00 H new ATOM 30 N GLY A 4 -9.473 5.039 -29.076 1.00 0.00 N ATOM 31 CA GLY A 4 -9.305 3.634 -28.754 1.00 0.00 C ATOM 32 C GLY A 4 -10.114 3.216 -27.543 1.00 0.00 C ATOM 33 O GLY A 4 -11.254 2.768 -27.674 1.00 0.00 O ATOM 0 H GLY A 4 -10.442 5.355 -29.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.602 3.030 -29.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.250 3.430 -28.570 1.00 0.00 H new ATOM 37 N SER A 5 -9.525 3.359 -26.360 1.00 0.00 N ATOM 38 CA SER A 5 -10.197 2.988 -25.121 1.00 0.00 C ATOM 39 C SER A 5 -9.984 4.051 -24.048 1.00 0.00 C ATOM 40 O SER A 5 -8.896 4.612 -23.921 1.00 0.00 O ATOM 41 CB SER A 5 -9.684 1.635 -24.624 1.00 0.00 C ATOM 42 OG SER A 5 -8.423 1.769 -23.991 1.00 0.00 O ATOM 0 H SER A 5 -8.583 3.729 -26.234 1.00 0.00 H new ATOM 0 HA SER A 5 -11.265 2.911 -25.324 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.401 1.205 -23.925 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.602 0.943 -25.462 1.00 0.00 H new ATOM 0 HG SER A 5 -8.118 0.891 -23.681 1.00 0.00 H new ATOM 48 N SER A 6 -11.032 4.322 -23.277 1.00 0.00 N ATOM 49 CA SER A 6 -10.963 5.320 -22.216 1.00 0.00 C ATOM 50 C SER A 6 -10.085 4.833 -21.067 1.00 0.00 C ATOM 51 O SER A 6 -10.309 3.757 -20.513 1.00 0.00 O ATOM 52 CB SER A 6 -12.366 5.644 -21.699 1.00 0.00 C ATOM 53 OG SER A 6 -12.996 6.620 -22.510 1.00 0.00 O ATOM 0 H SER A 6 -11.939 3.864 -23.367 1.00 0.00 H new ATOM 0 HA SER A 6 -10.519 6.225 -22.631 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.969 4.736 -21.682 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.304 6.005 -20.672 1.00 0.00 H new ATOM 0 HG SER A 6 -13.892 6.808 -22.159 1.00 0.00 H new ATOM 59 N GLY A 7 -9.084 5.634 -20.715 1.00 0.00 N ATOM 60 CA GLY A 7 -8.187 5.268 -19.635 1.00 0.00 C ATOM 61 C GLY A 7 -6.780 4.980 -20.121 1.00 0.00 C ATOM 62 O GLY A 7 -6.167 3.993 -19.718 1.00 0.00 O ATOM 0 H GLY A 7 -8.878 6.529 -21.158 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.157 6.075 -18.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.579 4.388 -19.124 1.00 0.00 H new ATOM 66 N ASN A 8 -6.269 5.843 -20.993 1.00 0.00 N ATOM 67 CA ASN A 8 -4.927 5.675 -21.538 1.00 0.00 C ATOM 68 C ASN A 8 -3.884 5.679 -20.424 1.00 0.00 C ATOM 69 O ASN A 8 -3.867 6.574 -19.579 1.00 0.00 O ATOM 70 CB ASN A 8 -4.619 6.786 -22.544 1.00 0.00 C ATOM 71 CG ASN A 8 -3.229 6.661 -23.137 1.00 0.00 C ATOM 72 OD1 ASN A 8 -2.485 5.735 -22.812 1.00 0.00 O ATOM 73 ND2 ASN A 8 -2.872 7.595 -24.011 1.00 0.00 N ATOM 0 H ASN A 8 -6.764 6.666 -21.337 1.00 0.00 H new ATOM 0 HA ASN A 8 -4.886 4.712 -22.047 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.357 6.761 -23.346 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.716 7.754 -22.053 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.948 7.563 -24.443 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.521 8.344 -24.251 1.00 0.00 H new ATOM 80 N ASP A 9 -3.015 4.674 -20.431 1.00 0.00 N ATOM 81 CA ASP A 9 -1.967 4.563 -19.423 1.00 0.00 C ATOM 82 C ASP A 9 -0.958 5.699 -19.560 1.00 0.00 C ATOM 83 O ASP A 9 -0.644 6.133 -20.667 1.00 0.00 O ATOM 84 CB ASP A 9 -1.255 3.215 -19.545 1.00 0.00 C ATOM 85 CG ASP A 9 -2.223 2.062 -19.725 1.00 0.00 C ATOM 86 OD1 ASP A 9 -2.795 1.934 -20.828 1.00 0.00 O ATOM 87 OD2 ASP A 9 -2.409 1.288 -18.763 1.00 0.00 O ATOM 0 H ASP A 9 -3.016 3.925 -21.123 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.433 4.632 -18.440 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.569 3.245 -20.392 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.653 3.044 -18.653 1.00 0.00 H new ATOM 92 N ALA A 10 -0.456 6.177 -18.426 1.00 0.00 N ATOM 93 CA ALA A 10 0.517 7.262 -18.419 1.00 0.00 C ATOM 94 C ALA A 10 1.754 6.885 -17.610 1.00 0.00 C ATOM 95 O ALA A 10 1.677 6.090 -16.673 1.00 0.00 O ATOM 96 CB ALA A 10 -0.111 8.531 -17.864 1.00 0.00 C ATOM 0 H ALA A 10 -0.707 5.830 -17.500 1.00 0.00 H new ATOM 0 HA ALA A 10 0.828 7.444 -19.448 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.627 9.333 -17.865 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.960 8.819 -18.485 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.452 8.352 -16.844 1.00 0.00 H new ATOM 102 N VAL A 11 2.894 7.459 -17.979 1.00 0.00 N ATOM 103 CA VAL A 11 4.148 7.184 -17.288 1.00 0.00 C ATOM 104 C VAL A 11 4.309 8.078 -16.064 1.00 0.00 C ATOM 105 O VAL A 11 4.964 7.705 -15.091 1.00 0.00 O ATOM 106 CB VAL A 11 5.359 7.384 -18.219 1.00 0.00 C ATOM 107 CG1 VAL A 11 5.371 6.327 -19.313 1.00 0.00 C ATOM 108 CG2 VAL A 11 5.345 8.782 -18.817 1.00 0.00 C ATOM 0 H VAL A 11 2.975 8.118 -18.753 1.00 0.00 H new ATOM 0 HA VAL A 11 4.112 6.142 -16.971 1.00 0.00 H new ATOM 0 HB VAL A 11 6.270 7.274 -17.631 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.233 6.484 -19.961 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.432 5.337 -18.862 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.457 6.402 -19.901 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.207 8.906 -19.472 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.430 8.923 -19.392 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.388 9.521 -18.017 1.00 0.00 H new ATOM 118 N ASP A 12 3.706 9.261 -16.119 1.00 0.00 N ATOM 119 CA ASP A 12 3.781 10.210 -15.014 1.00 0.00 C ATOM 120 C ASP A 12 3.531 9.512 -13.681 1.00 0.00 C ATOM 121 O ASP A 12 4.200 9.792 -12.687 1.00 0.00 O ATOM 122 CB ASP A 12 2.766 11.337 -15.213 1.00 0.00 C ATOM 123 CG ASP A 12 1.383 10.817 -15.553 1.00 0.00 C ATOM 124 OD1 ASP A 12 0.697 10.315 -14.639 1.00 0.00 O ATOM 125 OD2 ASP A 12 0.987 10.913 -16.734 1.00 0.00 O ATOM 0 H ASP A 12 3.160 9.585 -16.917 1.00 0.00 H new ATOM 0 HA ASP A 12 4.785 10.634 -14.998 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.712 11.938 -14.305 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.110 11.995 -16.011 1.00 0.00 H new ATOM 130 N PHE A 13 2.562 8.602 -13.668 1.00 0.00 N ATOM 131 CA PHE A 13 2.222 7.865 -12.456 1.00 0.00 C ATOM 132 C PHE A 13 1.966 8.819 -11.294 1.00 0.00 C ATOM 133 O PHE A 13 2.246 8.497 -10.139 1.00 0.00 O ATOM 134 CB PHE A 13 3.345 6.891 -12.094 1.00 0.00 C ATOM 135 CG PHE A 13 3.175 5.528 -12.700 1.00 0.00 C ATOM 136 CD1 PHE A 13 2.640 5.381 -13.970 1.00 0.00 C ATOM 137 CD2 PHE A 13 3.549 4.392 -12.000 1.00 0.00 C ATOM 138 CE1 PHE A 13 2.482 4.128 -14.531 1.00 0.00 C ATOM 139 CE2 PHE A 13 3.394 3.136 -12.556 1.00 0.00 C ATOM 140 CZ PHE A 13 2.859 3.004 -13.822 1.00 0.00 C ATOM 0 H PHE A 13 1.999 8.357 -14.482 1.00 0.00 H new ATOM 0 HA PHE A 13 1.309 7.301 -12.647 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.297 7.309 -12.421 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.395 6.794 -11.009 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.343 6.257 -14.528 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.966 4.489 -11.009 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.065 4.028 -15.522 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.691 2.259 -12.001 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.735 2.023 -14.257 1.00 0.00 H new ATOM 150 N SER A 14 1.432 9.996 -11.607 1.00 0.00 N ATOM 151 CA SER A 14 1.142 10.999 -10.590 1.00 0.00 C ATOM 152 C SER A 14 0.062 10.506 -9.633 1.00 0.00 C ATOM 153 O SER A 14 0.226 10.515 -8.413 1.00 0.00 O ATOM 154 CB SER A 14 0.699 12.308 -11.247 1.00 0.00 C ATOM 155 OG SER A 14 1.216 13.429 -10.551 1.00 0.00 O ATOM 0 H SER A 14 1.192 10.278 -12.557 1.00 0.00 H new ATOM 0 HA SER A 14 2.054 11.177 -10.020 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.038 12.331 -12.283 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.390 12.359 -11.266 1.00 0.00 H new ATOM 0 HG SER A 14 0.920 14.253 -10.992 1.00 0.00 H new ATOM 161 N PRO A 15 -1.071 10.064 -10.198 1.00 0.00 N ATOM 162 CA PRO A 15 -2.202 9.558 -9.414 1.00 0.00 C ATOM 163 C PRO A 15 -1.895 8.219 -8.752 1.00 0.00 C ATOM 164 O PRO A 15 -2.729 7.661 -8.038 1.00 0.00 O ATOM 165 CB PRO A 15 -3.312 9.397 -10.455 1.00 0.00 C ATOM 166 CG PRO A 15 -2.595 9.208 -11.747 1.00 0.00 C ATOM 167 CD PRO A 15 -1.336 10.024 -11.646 1.00 0.00 C ATOM 0 HA PRO A 15 -2.462 10.228 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.948 8.542 -10.226 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.957 10.275 -10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.365 8.156 -11.915 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.208 9.539 -12.585 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.513 9.563 -12.193 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.471 11.024 -12.058 1.00 0.00 H new ATOM 175 N THR A 16 -0.691 7.707 -8.992 1.00 0.00 N ATOM 176 CA THR A 16 -0.274 6.433 -8.420 1.00 0.00 C ATOM 177 C THR A 16 0.975 6.599 -7.561 1.00 0.00 C ATOM 178 O THR A 16 1.859 7.393 -7.881 1.00 0.00 O ATOM 179 CB THR A 16 0.006 5.389 -9.517 1.00 0.00 C ATOM 180 OG1 THR A 16 1.031 5.865 -10.396 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.255 5.091 -10.315 1.00 0.00 C ATOM 0 H THR A 16 0.012 8.156 -9.579 1.00 0.00 H new ATOM 0 HA THR A 16 -1.097 6.082 -7.797 1.00 0.00 H new ATOM 0 HB THR A 16 0.339 4.469 -9.036 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.542 5.105 -10.745 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.033 4.351 -11.084 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.024 4.701 -9.648 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.613 6.007 -10.785 1.00 0.00 H new ATOM 189 N LEU A 17 1.041 5.844 -6.470 1.00 0.00 N ATOM 190 CA LEU A 17 2.183 5.907 -5.565 1.00 0.00 C ATOM 191 C LEU A 17 2.643 4.507 -5.170 1.00 0.00 C ATOM 192 O LEU A 17 1.838 3.603 -4.946 1.00 0.00 O ATOM 193 CB LEU A 17 1.825 6.711 -4.313 1.00 0.00 C ATOM 194 CG LEU A 17 1.232 8.094 -4.580 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.687 8.700 -3.297 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.277 9.010 -5.201 1.00 0.00 C ATOM 0 H LEU A 17 0.318 5.181 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 17 3.001 6.405 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.113 6.135 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.723 6.828 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 17 0.407 7.984 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.269 9.684 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.092 8.054 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.493 8.796 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.838 9.991 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.122 9.112 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.620 8.584 -6.144 1.00 0.00 H new ATOM 208 N PRO A 18 3.968 4.322 -5.084 1.00 0.00 N ATOM 209 CA PRO A 18 4.566 3.035 -4.717 1.00 0.00 C ATOM 210 C PRO A 18 4.322 2.680 -3.254 1.00 0.00 C ATOM 211 O PRO A 18 4.798 3.367 -2.350 1.00 0.00 O ATOM 212 CB PRO A 18 6.059 3.251 -4.973 1.00 0.00 C ATOM 213 CG PRO A 18 6.257 4.722 -4.844 1.00 0.00 C ATOM 214 CD PRO A 18 4.986 5.356 -5.339 1.00 0.00 C ATOM 0 HA PRO A 18 4.138 2.209 -5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.667 2.705 -4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.346 2.898 -5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.454 5.000 -3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.113 5.054 -5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.763 6.280 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.048 5.607 -6.398 1.00 0.00 H new ATOM 222 N VAL A 19 3.579 1.601 -3.027 1.00 0.00 N ATOM 223 CA VAL A 19 3.274 1.153 -1.674 1.00 0.00 C ATOM 224 C VAL A 19 3.817 -0.249 -1.423 1.00 0.00 C ATOM 225 O VAL A 19 4.023 -1.024 -2.358 1.00 0.00 O ATOM 226 CB VAL A 19 1.757 1.160 -1.409 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.198 2.569 -1.539 1.00 0.00 C ATOM 228 CG2 VAL A 19 1.047 0.207 -2.358 1.00 0.00 C ATOM 0 H VAL A 19 3.177 1.021 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 19 3.757 1.853 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 19 1.582 0.819 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.125 2.554 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.686 3.222 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.382 2.942 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.024 0.224 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.228 0.516 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.428 -0.804 -2.211 1.00 0.00 H new ATOM 238 N THR A 20 4.045 -0.572 -0.154 1.00 0.00 N ATOM 239 CA THR A 20 4.564 -1.881 0.220 1.00 0.00 C ATOM 240 C THR A 20 4.173 -2.239 1.650 1.00 0.00 C ATOM 241 O THR A 20 4.321 -1.429 2.565 1.00 0.00 O ATOM 242 CB THR A 20 6.098 -1.936 0.090 1.00 0.00 C ATOM 243 OG1 THR A 20 6.689 -0.844 0.804 1.00 0.00 O ATOM 244 CG2 THR A 20 6.520 -1.881 -1.370 1.00 0.00 C ATOM 0 H THR A 20 3.878 0.056 0.632 1.00 0.00 H new ATOM 0 HA THR A 20 4.123 -2.604 -0.467 1.00 0.00 H new ATOM 0 HB THR A 20 6.443 -2.878 0.516 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.163 -0.657 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.607 -1.921 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.092 -2.729 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.163 -0.953 -1.817 1.00 0.00 H new ATOM 252 N CYS A 21 3.676 -3.457 1.834 1.00 0.00 N ATOM 253 CA CYS A 21 3.264 -3.923 3.154 1.00 0.00 C ATOM 254 C CYS A 21 3.862 -5.292 3.459 1.00 0.00 C ATOM 255 O CYS A 21 3.451 -6.301 2.888 1.00 0.00 O ATOM 256 CB CYS A 21 1.738 -3.988 3.241 1.00 0.00 C ATOM 257 SG CYS A 21 1.109 -4.386 4.889 1.00 0.00 S ATOM 0 H CYS A 21 3.548 -4.140 1.087 1.00 0.00 H new ATOM 0 HA CYS A 21 3.633 -3.213 3.894 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.326 -3.029 2.928 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.376 -4.736 2.535 1.00 0.00 H new ATOM 0 HG CYS A 21 0.057 -3.664 5.138 1.00 0.00 H new ATOM 263 N GLY A 22 4.838 -5.318 4.362 1.00 0.00 N ATOM 264 CA GLY A 22 5.479 -6.568 4.725 1.00 0.00 C ATOM 265 C GLY A 22 6.173 -7.227 3.550 1.00 0.00 C ATOM 266 O GLY A 22 7.233 -6.777 3.113 1.00 0.00 O ATOM 0 H GLY A 22 5.196 -4.496 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.206 -6.383 5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.733 -7.251 5.132 1.00 0.00 H new ATOM 270 N LYS A 23 5.577 -8.298 3.037 1.00 0.00 N ATOM 271 CA LYS A 23 6.145 -9.022 1.905 1.00 0.00 C ATOM 272 C LYS A 23 5.311 -8.804 0.647 1.00 0.00 C ATOM 273 O LYS A 23 5.473 -9.512 -0.347 1.00 0.00 O ATOM 274 CB LYS A 23 6.230 -10.517 2.221 1.00 0.00 C ATOM 275 CG LYS A 23 4.880 -11.160 2.488 1.00 0.00 C ATOM 276 CD LYS A 23 4.230 -11.646 1.203 1.00 0.00 C ATOM 277 CE LYS A 23 3.338 -12.853 1.452 1.00 0.00 C ATOM 278 NZ LYS A 23 2.454 -13.138 0.288 1.00 0.00 N ATOM 0 H LYS A 23 4.700 -8.684 3.387 1.00 0.00 H new ATOM 0 HA LYS A 23 7.149 -8.637 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.708 -11.030 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.870 -10.660 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.004 -11.998 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.224 -10.441 2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.640 -10.841 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.002 -11.906 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.957 -13.726 1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.727 -12.677 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.862 -13.967 0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.845 -12.315 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.037 -13.331 -0.551 1.00 0.00 H new ATOM 292 N ALA A 24 4.419 -7.819 0.696 1.00 0.00 N ATOM 293 CA ALA A 24 3.563 -7.506 -0.441 1.00 0.00 C ATOM 294 C ALA A 24 3.930 -6.156 -1.049 1.00 0.00 C ATOM 295 O ALA A 24 4.277 -5.215 -0.335 1.00 0.00 O ATOM 296 CB ALA A 24 2.101 -7.517 -0.020 1.00 0.00 C ATOM 0 H ALA A 24 4.271 -7.224 1.511 1.00 0.00 H new ATOM 0 HA ALA A 24 3.717 -8.272 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.473 -7.282 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.839 -8.504 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.942 -6.773 0.761 1.00 0.00 H new ATOM 302 N LYS A 25 3.852 -6.068 -2.373 1.00 0.00 N ATOM 303 CA LYS A 25 4.175 -4.834 -3.078 1.00 0.00 C ATOM 304 C LYS A 25 3.121 -4.520 -4.136 1.00 0.00 C ATOM 305 O LYS A 25 2.702 -5.399 -4.888 1.00 0.00 O ATOM 306 CB LYS A 25 5.553 -4.943 -3.733 1.00 0.00 C ATOM 307 CG LYS A 25 6.674 -5.225 -2.748 1.00 0.00 C ATOM 308 CD LYS A 25 8.037 -5.143 -3.415 1.00 0.00 C ATOM 309 CE LYS A 25 9.153 -5.018 -2.389 1.00 0.00 C ATOM 310 NZ LYS A 25 10.492 -4.927 -3.034 1.00 0.00 N ATOM 0 H LYS A 25 3.568 -6.838 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 25 4.188 -4.022 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.529 -5.736 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.770 -4.014 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.626 -4.510 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.539 -6.216 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.199 -6.032 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.063 -4.286 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.985 -4.133 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.130 -5.879 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.225 -4.843 -2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.664 -5.783 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.523 -4.091 -3.652 1.00 0.00 H new ATOM 324 N GLY A 26 2.698 -3.261 -4.188 1.00 0.00 N ATOM 325 CA GLY A 26 1.698 -2.854 -5.158 1.00 0.00 C ATOM 326 C GLY A 26 1.765 -1.372 -5.472 1.00 0.00 C ATOM 327 O GLY A 26 2.823 -0.752 -5.361 1.00 0.00 O ATOM 0 H GLY A 26 3.030 -2.516 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.835 -3.424 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.706 -3.097 -4.777 1.00 0.00 H new ATOM 331 N THR A 27 0.631 -0.801 -5.867 1.00 0.00 N ATOM 332 CA THR A 27 0.564 0.616 -6.201 1.00 0.00 C ATOM 333 C THR A 27 -0.788 1.208 -5.820 1.00 0.00 C ATOM 334 O THR A 27 -1.834 0.707 -6.233 1.00 0.00 O ATOM 335 CB THR A 27 0.811 0.851 -7.703 1.00 0.00 C ATOM 336 OG1 THR A 27 2.098 0.344 -8.074 1.00 0.00 O ATOM 337 CG2 THR A 27 0.728 2.333 -8.039 1.00 0.00 C ATOM 0 H THR A 27 -0.254 -1.299 -5.963 1.00 0.00 H new ATOM 0 HA THR A 27 1.348 1.113 -5.630 1.00 0.00 H new ATOM 0 HB THR A 27 0.039 0.323 -8.263 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.246 0.496 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.906 2.475 -9.105 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.262 2.709 -7.783 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.481 2.878 -7.470 1.00 0.00 H new ATOM 345 N LEU A 28 -0.760 2.277 -5.032 1.00 0.00 N ATOM 346 CA LEU A 28 -1.985 2.938 -4.596 1.00 0.00 C ATOM 347 C LEU A 28 -2.425 3.990 -5.608 1.00 0.00 C ATOM 348 O LEU A 28 -1.611 4.768 -6.106 1.00 0.00 O ATOM 349 CB LEU A 28 -1.779 3.587 -3.225 1.00 0.00 C ATOM 350 CG LEU A 28 -2.923 4.486 -2.756 1.00 0.00 C ATOM 351 CD1 LEU A 28 -3.954 3.679 -1.983 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.388 5.626 -1.903 1.00 0.00 C ATOM 0 H LEU A 28 0.097 2.705 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.768 2.184 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.630 2.800 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.862 4.176 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.409 4.911 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.761 4.336 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.360 2.897 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.482 3.225 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.216 6.256 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.877 5.219 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.687 6.221 -2.489 1.00 0.00 H new ATOM 364 N PHE A 29 -3.720 4.007 -5.910 1.00 0.00 N ATOM 365 CA PHE A 29 -4.269 4.962 -6.864 1.00 0.00 C ATOM 366 C PHE A 29 -5.204 5.949 -6.170 1.00 0.00 C ATOM 367 O PHE A 29 -6.351 5.622 -5.865 1.00 0.00 O ATOM 368 CB PHE A 29 -5.020 4.229 -7.978 1.00 0.00 C ATOM 369 CG PHE A 29 -4.129 3.390 -8.849 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.376 2.362 -8.306 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.046 3.629 -10.211 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.555 1.589 -9.106 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.228 2.859 -11.016 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.482 1.837 -10.462 1.00 0.00 C ATOM 0 H PHE A 29 -4.408 3.370 -5.507 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.439 5.519 -7.300 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.784 3.592 -7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.538 4.960 -8.599 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.431 2.162 -7.246 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.628 4.427 -10.649 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.971 0.792 -8.670 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.172 3.056 -12.076 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.843 1.233 -11.089 1.00 0.00 H new ATOM 384 N GLN A 30 -4.704 7.155 -5.923 1.00 0.00 N ATOM 385 CA GLN A 30 -5.494 8.188 -5.264 1.00 0.00 C ATOM 386 C GLN A 30 -6.888 8.281 -5.874 1.00 0.00 C ATOM 387 O GLN A 30 -7.850 8.636 -5.195 1.00 0.00 O ATOM 388 CB GLN A 30 -4.788 9.542 -5.366 1.00 0.00 C ATOM 389 CG GLN A 30 -3.272 9.441 -5.348 1.00 0.00 C ATOM 390 CD GLN A 30 -2.604 10.753 -4.988 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.448 11.635 -5.833 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.205 10.889 -3.729 1.00 0.00 N ATOM 0 H GLN A 30 -3.756 7.441 -6.169 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.596 7.917 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.100 10.036 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.111 10.174 -4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.971 8.676 -4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.922 9.116 -6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.355 10.132 -3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.749 11.751 -3.429 1.00 0.00 H new ATOM 401 N GLU A 31 -6.988 7.959 -7.160 1.00 0.00 N ATOM 402 CA GLU A 31 -8.266 8.007 -7.862 1.00 0.00 C ATOM 403 C GLU A 31 -9.195 6.898 -7.378 1.00 0.00 C ATOM 404 O GLU A 31 -10.390 7.115 -7.180 1.00 0.00 O ATOM 405 CB GLU A 31 -8.049 7.884 -9.371 1.00 0.00 C ATOM 406 CG GLU A 31 -9.284 7.425 -10.128 1.00 0.00 C ATOM 407 CD GLU A 31 -9.337 7.969 -11.543 1.00 0.00 C ATOM 408 OE1 GLU A 31 -8.800 7.305 -12.454 1.00 0.00 O ATOM 409 OE2 GLU A 31 -9.915 9.059 -11.738 1.00 0.00 O ATOM 0 H GLU A 31 -6.201 7.662 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.734 8.968 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.730 8.850 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.237 7.181 -9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.301 6.336 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.176 7.742 -9.587 1.00 0.00 H new ATOM 416 N LYS A 32 -8.636 5.707 -7.190 1.00 0.00 N ATOM 417 CA LYS A 32 -9.412 4.562 -6.728 1.00 0.00 C ATOM 418 C LYS A 32 -9.467 4.520 -5.204 1.00 0.00 C ATOM 419 O LYS A 32 -10.194 3.716 -4.622 1.00 0.00 O ATOM 420 CB LYS A 32 -8.808 3.261 -7.263 1.00 0.00 C ATOM 421 CG LYS A 32 -9.281 2.900 -8.660 1.00 0.00 C ATOM 422 CD LYS A 32 -8.239 2.087 -9.409 1.00 0.00 C ATOM 423 CE LYS A 32 -8.612 1.917 -10.874 1.00 0.00 C ATOM 424 NZ LYS A 32 -8.564 3.210 -11.612 1.00 0.00 N ATOM 0 H LYS A 32 -7.648 5.510 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.428 4.667 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.722 3.350 -7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.058 2.447 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.209 2.332 -8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.502 3.811 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.269 2.579 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.136 1.107 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.931 1.206 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.614 1.494 -10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.537 3.025 -12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.409 3.772 -11.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.712 3.737 -11.333 1.00 0.00 H new ATOM 438 N LEU A 33 -8.695 5.392 -4.565 1.00 0.00 N ATOM 439 CA LEU A 33 -8.657 5.456 -3.108 1.00 0.00 C ATOM 440 C LEU A 33 -9.562 6.568 -2.589 1.00 0.00 C ATOM 441 O LEU A 33 -10.288 6.388 -1.611 1.00 0.00 O ATOM 442 CB LEU A 33 -7.223 5.681 -2.624 1.00 0.00 C ATOM 443 CG LEU A 33 -7.048 5.700 -1.106 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.164 4.294 -0.537 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.709 6.318 -0.732 1.00 0.00 C ATOM 0 H LEU A 33 -8.087 6.064 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.020 4.505 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.589 4.897 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.864 6.628 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.842 6.311 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.037 4.328 0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.146 3.885 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.392 3.660 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.601 6.324 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.902 5.733 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.663 7.341 -1.106 1.00 0.00 H new ATOM 457 N LYS A 34 -9.514 7.720 -3.250 1.00 0.00 N ATOM 458 CA LYS A 34 -10.329 8.863 -2.857 1.00 0.00 C ATOM 459 C LYS A 34 -11.801 8.474 -2.762 1.00 0.00 C ATOM 460 O LYS A 34 -12.522 8.951 -1.885 1.00 0.00 O ATOM 461 CB LYS A 34 -10.156 10.007 -3.859 1.00 0.00 C ATOM 462 CG LYS A 34 -10.842 9.757 -5.191 1.00 0.00 C ATOM 463 CD LYS A 34 -10.788 10.984 -6.085 1.00 0.00 C ATOM 464 CE LYS A 34 -11.747 12.064 -5.608 1.00 0.00 C ATOM 465 NZ LYS A 34 -13.168 11.694 -5.859 1.00 0.00 N ATOM 0 H LYS A 34 -8.918 7.886 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.995 9.196 -1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.551 10.924 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.092 10.169 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.364 8.917 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.881 9.476 -5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.772 11.379 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.036 10.701 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.599 12.236 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.520 13.001 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.773 12.530 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.268 11.343 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.456 10.951 -5.191 1.00 0.00 H new ATOM 479 N GLN A 35 -12.239 7.606 -3.668 1.00 0.00 N ATOM 480 CA GLN A 35 -13.625 7.153 -3.684 1.00 0.00 C ATOM 481 C GLN A 35 -13.968 6.405 -2.400 1.00 0.00 C ATOM 482 O GLN A 35 -15.008 6.646 -1.788 1.00 0.00 O ATOM 483 CB GLN A 35 -13.876 6.253 -4.895 1.00 0.00 C ATOM 484 CG GLN A 35 -13.549 6.917 -6.223 1.00 0.00 C ATOM 485 CD GLN A 35 -13.913 6.050 -7.413 1.00 0.00 C ATOM 486 OE1 GLN A 35 -13.086 5.802 -8.291 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.156 5.584 -7.448 1.00 0.00 N ATOM 0 H GLN A 35 -11.655 7.202 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.267 8.031 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.279 5.347 -4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.922 5.946 -4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.082 7.865 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.484 7.147 -6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.808 5.815 -6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.458 4.995 -8.224 1.00 0.00 H new ATOM 496 N GLY A 36 -13.087 5.495 -1.997 1.00 0.00 N ATOM 497 CA GLY A 36 -13.315 4.725 -0.788 1.00 0.00 C ATOM 498 C GLY A 36 -12.250 3.670 -0.563 1.00 0.00 C ATOM 499 O GLY A 36 -12.055 2.787 -1.398 1.00 0.00 O ATOM 0 H GLY A 36 -12.219 5.277 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.341 5.399 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.292 4.244 -0.846 1.00 0.00 H new ATOM 503 N ALA A 37 -11.558 3.762 0.568 1.00 0.00 N ATOM 504 CA ALA A 37 -10.508 2.808 0.901 1.00 0.00 C ATOM 505 C ALA A 37 -10.944 1.380 0.590 1.00 0.00 C ATOM 506 O ALA A 37 -10.150 0.568 0.116 1.00 0.00 O ATOM 507 CB ALA A 37 -10.123 2.937 2.367 1.00 0.00 C ATOM 0 H ALA A 37 -11.706 4.488 1.269 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.637 3.036 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.338 2.218 2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.761 3.947 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.995 2.739 2.991 1.00 0.00 H new ATOM 513 N SER A 38 -12.211 1.082 0.859 1.00 0.00 N ATOM 514 CA SER A 38 -12.752 -0.250 0.612 1.00 0.00 C ATOM 515 C SER A 38 -12.597 -0.635 -0.856 1.00 0.00 C ATOM 516 O SER A 38 -12.323 -1.791 -1.182 1.00 0.00 O ATOM 517 CB SER A 38 -14.227 -0.307 1.013 1.00 0.00 C ATOM 518 OG SER A 38 -14.399 0.045 2.375 1.00 0.00 O ATOM 0 H SER A 38 -12.882 1.744 1.248 1.00 0.00 H new ATOM 0 HA SER A 38 -12.191 -0.961 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.805 0.370 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.615 -1.311 0.842 1.00 0.00 H new ATOM 0 HG SER A 38 -15.350 0.003 2.606 1.00 0.00 H new ATOM 524 N LYS A 39 -12.774 0.341 -1.739 1.00 0.00 N ATOM 525 CA LYS A 39 -12.654 0.108 -3.173 1.00 0.00 C ATOM 526 C LYS A 39 -11.236 -0.321 -3.538 1.00 0.00 C ATOM 527 O LYS A 39 -10.259 0.249 -3.050 1.00 0.00 O ATOM 528 CB LYS A 39 -13.031 1.371 -3.950 1.00 0.00 C ATOM 529 CG LYS A 39 -14.405 1.914 -3.598 1.00 0.00 C ATOM 530 CD LYS A 39 -15.486 1.312 -4.480 1.00 0.00 C ATOM 531 CE LYS A 39 -16.713 2.208 -4.549 1.00 0.00 C ATOM 532 NZ LYS A 39 -16.625 3.182 -5.672 1.00 0.00 N ATOM 0 H LYS A 39 -13.001 1.303 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.339 -0.695 -3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.285 2.142 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.998 1.154 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.625 1.698 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.407 2.999 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.092 1.155 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.770 0.334 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.605 1.594 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.823 2.747 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.480 3.774 -5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.788 3.785 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.546 2.668 -6.572 1.00 0.00 H new ATOM 546 N LYS A 40 -11.129 -1.327 -4.399 1.00 0.00 N ATOM 547 CA LYS A 40 -9.831 -1.831 -4.831 1.00 0.00 C ATOM 548 C LYS A 40 -9.032 -0.740 -5.537 1.00 0.00 C ATOM 549 O LYS A 40 -9.331 -0.377 -6.675 1.00 0.00 O ATOM 550 CB LYS A 40 -10.012 -3.031 -5.764 1.00 0.00 C ATOM 551 CG LYS A 40 -10.965 -4.083 -5.224 1.00 0.00 C ATOM 552 CD LYS A 40 -10.227 -5.150 -4.432 1.00 0.00 C ATOM 553 CE LYS A 40 -11.088 -6.386 -4.225 1.00 0.00 C ATOM 554 NZ LYS A 40 -11.120 -7.249 -5.439 1.00 0.00 N ATOM 0 H LYS A 40 -11.927 -1.810 -4.812 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.278 -2.147 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.381 -2.679 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.040 -3.491 -5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.711 -3.607 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.501 -4.548 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.312 -5.426 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.930 -4.746 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.703 -6.960 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.103 -6.083 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.717 -8.081 -5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.511 -6.710 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.155 -7.559 -5.670 1.00 0.00 H new ATOM 568 N CYS A 41 -8.016 -0.223 -4.856 1.00 0.00 N ATOM 569 CA CYS A 41 -7.173 0.826 -5.419 1.00 0.00 C ATOM 570 C CYS A 41 -5.729 0.352 -5.547 1.00 0.00 C ATOM 571 O CYS A 41 -4.989 0.815 -6.416 1.00 0.00 O ATOM 572 CB CYS A 41 -7.235 2.081 -4.547 1.00 0.00 C ATOM 573 SG CYS A 41 -6.748 1.811 -2.827 1.00 0.00 S ATOM 0 H CYS A 41 -7.756 -0.513 -3.913 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.548 1.065 -6.414 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.588 2.844 -4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.251 2.475 -4.568 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.738 2.117 -2.042 1.00 0.00 H new ATOM 579 N ILE A 42 -5.335 -0.571 -4.677 1.00 0.00 N ATOM 580 CA ILE A 42 -3.979 -1.106 -4.693 1.00 0.00 C ATOM 581 C ILE A 42 -3.836 -2.209 -5.737 1.00 0.00 C ATOM 582 O ILE A 42 -4.377 -3.302 -5.577 1.00 0.00 O ATOM 583 CB ILE A 42 -3.577 -1.664 -3.315 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.482 -0.532 -2.290 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.255 -2.412 -3.411 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.392 -1.018 -0.860 1.00 0.00 C ATOM 0 H ILE A 42 -5.935 -0.964 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.316 -0.279 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.345 -2.364 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.607 0.078 -2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.354 0.114 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.985 -2.800 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.355 -3.239 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.477 -1.733 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.327 -0.162 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.279 -1.603 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.504 -1.640 -0.742 1.00 0.00 H new ATOM 598 N GLN A 43 -3.102 -1.913 -6.805 1.00 0.00 N ATOM 599 CA GLN A 43 -2.887 -2.880 -7.875 1.00 0.00 C ATOM 600 C GLN A 43 -1.583 -3.644 -7.664 1.00 0.00 C ATOM 601 O GLN A 43 -0.503 -3.056 -7.654 1.00 0.00 O ATOM 602 CB GLN A 43 -2.864 -2.175 -9.232 1.00 0.00 C ATOM 603 CG GLN A 43 -3.137 -3.103 -10.405 1.00 0.00 C ATOM 604 CD GLN A 43 -3.026 -2.400 -11.743 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.101 -1.621 -11.973 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.971 -2.673 -12.636 1.00 0.00 N ATOM 0 H GLN A 43 -2.647 -1.012 -6.952 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.712 -3.592 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.607 -1.377 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.891 -1.704 -9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.433 -3.935 -10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.136 -3.527 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.720 -3.325 -12.403 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.948 -2.230 -13.555 1.00 0.00 H new ATOM 615 N ASN A 44 -1.694 -4.958 -7.496 1.00 0.00 N ATOM 616 CA ASN A 44 -0.524 -5.802 -7.284 1.00 0.00 C ATOM 617 C ASN A 44 0.258 -5.983 -8.582 1.00 0.00 C ATOM 618 O ASN A 44 -0.149 -5.497 -9.636 1.00 0.00 O ATOM 619 CB ASN A 44 -0.946 -7.167 -6.736 1.00 0.00 C ATOM 620 CG ASN A 44 -1.626 -8.026 -7.784 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.778 -7.617 -8.936 1.00 0.00 O ATOM 622 ND2 ASN A 44 -2.040 -9.224 -7.389 1.00 0.00 N ATOM 0 H ASN A 44 -2.581 -5.461 -7.503 1.00 0.00 H new ATOM 0 HA ASN A 44 0.121 -5.310 -6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.068 -7.690 -6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.622 -7.024 -5.893 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.505 -9.846 -8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.893 -9.522 -6.425 1.00 0.00 H new ATOM 629 N GLU A 45 1.383 -6.687 -8.495 1.00 0.00 N ATOM 630 CA GLU A 45 2.222 -6.932 -9.663 1.00 0.00 C ATOM 631 C GLU A 45 1.454 -7.701 -10.733 1.00 0.00 C ATOM 632 O GLU A 45 1.770 -7.618 -11.919 1.00 0.00 O ATOM 633 CB GLU A 45 3.477 -7.709 -9.262 1.00 0.00 C ATOM 634 CG GLU A 45 4.265 -7.057 -8.138 1.00 0.00 C ATOM 635 CD GLU A 45 5.751 -7.347 -8.222 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.377 -6.955 -9.228 1.00 0.00 O ATOM 637 OE2 GLU A 45 6.287 -7.968 -7.280 1.00 0.00 O ATOM 0 H GLU A 45 1.734 -7.097 -7.629 1.00 0.00 H new ATOM 0 HA GLU A 45 2.517 -5.967 -10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.189 -8.715 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.123 -7.814 -10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.107 -5.979 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.883 -7.410 -7.180 1.00 0.00 H new ATOM 644 N ALA A 46 0.443 -8.450 -10.304 1.00 0.00 N ATOM 645 CA ALA A 46 -0.372 -9.234 -11.225 1.00 0.00 C ATOM 646 C ALA A 46 -1.503 -8.393 -11.808 1.00 0.00 C ATOM 647 O ALA A 46 -2.350 -8.900 -12.543 1.00 0.00 O ATOM 648 CB ALA A 46 -0.932 -10.460 -10.520 1.00 0.00 C ATOM 0 H ALA A 46 0.169 -8.530 -9.325 1.00 0.00 H new ATOM 0 HA ALA A 46 0.264 -9.561 -12.048 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.538 -11.036 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.111 -11.078 -10.157 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.549 -10.146 -9.678 1.00 0.00 H new ATOM 654 N GLY A 47 -1.510 -7.106 -11.476 1.00 0.00 N ATOM 655 CA GLY A 47 -2.542 -6.217 -11.975 1.00 0.00 C ATOM 656 C GLY A 47 -3.836 -6.333 -11.194 1.00 0.00 C ATOM 657 O GLY A 47 -4.698 -5.459 -11.274 1.00 0.00 O ATOM 0 H GLY A 47 -0.819 -6.663 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.184 -5.188 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.734 -6.441 -13.024 1.00 0.00 H new ATOM 661 N ASP A 48 -3.972 -7.416 -10.437 1.00 0.00 N ATOM 662 CA ASP A 48 -5.170 -7.645 -9.638 1.00 0.00 C ATOM 663 C ASP A 48 -5.285 -6.611 -8.521 1.00 0.00 C ATOM 664 O ASP A 48 -4.481 -6.599 -7.589 1.00 0.00 O ATOM 665 CB ASP A 48 -5.153 -9.054 -9.045 1.00 0.00 C ATOM 666 CG ASP A 48 -5.145 -10.132 -10.112 1.00 0.00 C ATOM 667 OD1 ASP A 48 -4.510 -9.918 -11.166 1.00 0.00 O ATOM 668 OD2 ASP A 48 -5.774 -11.188 -9.892 1.00 0.00 O ATOM 0 H ASP A 48 -3.267 -8.149 -10.360 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.036 -7.545 -10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.273 -9.168 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.026 -9.186 -8.406 1.00 0.00 H new ATOM 673 N TRP A 49 -6.287 -5.746 -8.624 1.00 0.00 N ATOM 674 CA TRP A 49 -6.505 -4.707 -7.623 1.00 0.00 C ATOM 675 C TRP A 49 -6.882 -5.318 -6.278 1.00 0.00 C ATOM 676 O TRP A 49 -7.458 -6.404 -6.219 1.00 0.00 O ATOM 677 CB TRP A 49 -7.602 -3.747 -8.086 1.00 0.00 C ATOM 678 CG TRP A 49 -7.286 -3.065 -9.383 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.443 -3.579 -10.639 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.757 -1.745 -9.551 1.00 0.00 C ATOM 681 NE1 TRP A 49 -7.044 -2.658 -11.577 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.620 -1.525 -10.935 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.389 -0.728 -8.667 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -6.128 -0.329 -11.453 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.901 0.458 -9.182 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.775 0.650 -10.565 1.00 0.00 C ATOM 0 H TRP A 49 -6.961 -5.743 -9.389 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.574 -4.153 -7.501 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.536 -4.298 -8.192 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.763 -2.992 -7.316 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.825 -4.564 -10.862 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.061 -2.796 -12.588 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.484 -0.866 -7.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.029 -0.180 -12.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.612 1.250 -8.508 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.392 1.589 -10.937 1.00 0.00 H new ATOM 697 N LEU A 50 -6.552 -4.614 -5.201 1.00 0.00 N ATOM 698 CA LEU A 50 -6.856 -5.088 -3.855 1.00 0.00 C ATOM 699 C LEU A 50 -7.292 -3.935 -2.958 1.00 0.00 C ATOM 700 O LEU A 50 -6.777 -2.821 -3.064 1.00 0.00 O ATOM 701 CB LEU A 50 -5.637 -5.789 -3.251 1.00 0.00 C ATOM 702 CG LEU A 50 -5.107 -6.975 -4.056 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.671 -7.288 -3.665 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.994 -8.194 -3.853 1.00 0.00 C ATOM 0 H LEU A 50 -6.074 -3.713 -5.233 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.678 -5.801 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.836 -5.059 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.895 -6.135 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.123 -6.709 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.311 -8.135 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.043 -6.419 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.628 -7.534 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.602 -9.030 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.009 -8.461 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.007 -7.966 -4.184 1.00 0.00 H new ATOM 716 N THR A 51 -8.245 -4.209 -2.072 1.00 0.00 N ATOM 717 CA THR A 51 -8.752 -3.195 -1.156 1.00 0.00 C ATOM 718 C THR A 51 -7.711 -2.836 -0.102 1.00 0.00 C ATOM 719 O THR A 51 -6.909 -3.677 0.304 1.00 0.00 O ATOM 720 CB THR A 51 -10.038 -3.666 -0.452 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.745 -4.766 0.417 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.090 -4.082 -1.469 1.00 0.00 C ATOM 0 H THR A 51 -8.681 -5.125 -1.970 1.00 0.00 H new ATOM 0 HA THR A 51 -8.977 -2.313 -1.755 1.00 0.00 H new ATOM 0 HB THR A 51 -10.431 -2.835 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.567 -5.059 0.862 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.989 -4.411 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.331 -3.234 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.704 -4.899 -2.078 1.00 0.00 H new ATOM 730 N VAL A 52 -7.729 -1.583 0.339 1.00 0.00 N ATOM 731 CA VAL A 52 -6.787 -1.113 1.348 1.00 0.00 C ATOM 732 C VAL A 52 -6.563 -2.170 2.424 1.00 0.00 C ATOM 733 O VAL A 52 -5.525 -2.188 3.086 1.00 0.00 O ATOM 734 CB VAL A 52 -7.279 0.186 2.014 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.319 0.620 3.111 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.448 1.285 0.976 1.00 0.00 C ATOM 0 H VAL A 52 -8.386 -0.874 0.013 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.846 -0.915 0.835 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.251 -0.005 2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.683 1.539 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.253 -0.162 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.332 0.794 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.796 2.196 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.491 1.477 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.178 0.971 0.230 1.00 0.00 H new ATOM 746 N LYS A 53 -7.544 -3.049 2.595 1.00 0.00 N ATOM 747 CA LYS A 53 -7.455 -4.112 3.590 1.00 0.00 C ATOM 748 C LYS A 53 -6.744 -5.334 3.018 1.00 0.00 C ATOM 749 O LYS A 53 -5.748 -5.799 3.571 1.00 0.00 O ATOM 750 CB LYS A 53 -8.853 -4.502 4.076 1.00 0.00 C ATOM 751 CG LYS A 53 -8.878 -5.019 5.504 1.00 0.00 C ATOM 752 CD LYS A 53 -10.301 -5.204 6.005 1.00 0.00 C ATOM 753 CE LYS A 53 -10.926 -3.878 6.409 1.00 0.00 C ATOM 754 NZ LYS A 53 -10.567 -3.497 7.803 1.00 0.00 N ATOM 0 H LYS A 53 -8.411 -3.047 2.057 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.875 -3.738 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.510 -3.635 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.258 -5.267 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.346 -5.969 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.350 -4.321 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.905 -5.670 5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.302 -5.883 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.597 -3.097 5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.010 -3.945 6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.013 -2.588 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.903 -4.229 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.534 -3.408 7.883 1.00 0.00 H new ATOM 768 N GLU A 54 -7.263 -5.849 1.907 1.00 0.00 N ATOM 769 CA GLU A 54 -6.676 -7.017 1.261 1.00 0.00 C ATOM 770 C GLU A 54 -5.155 -6.903 1.208 1.00 0.00 C ATOM 771 O GLU A 54 -4.438 -7.785 1.680 1.00 0.00 O ATOM 772 CB GLU A 54 -7.236 -7.181 -0.153 1.00 0.00 C ATOM 773 CG GLU A 54 -8.479 -8.051 -0.219 1.00 0.00 C ATOM 774 CD GLU A 54 -8.724 -8.616 -1.605 1.00 0.00 C ATOM 775 OE1 GLU A 54 -7.769 -9.155 -2.202 1.00 0.00 O ATOM 776 OE2 GLU A 54 -9.870 -8.518 -2.092 1.00 0.00 O ATOM 0 H GLU A 54 -8.088 -5.476 1.437 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.937 -7.896 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.470 -6.197 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.466 -7.614 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.381 -8.872 0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.345 -7.465 0.088 1.00 0.00 H new ATOM 783 N PHE A 55 -4.670 -5.810 0.629 1.00 0.00 N ATOM 784 CA PHE A 55 -3.234 -5.579 0.512 1.00 0.00 C ATOM 785 C PHE A 55 -2.516 -5.957 1.804 1.00 0.00 C ATOM 786 O PHE A 55 -1.480 -6.621 1.780 1.00 0.00 O ATOM 787 CB PHE A 55 -2.958 -4.114 0.171 1.00 0.00 C ATOM 788 CG PHE A 55 -1.522 -3.839 -0.175 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.886 -4.560 -1.172 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.808 -2.861 0.499 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.435 -4.310 -1.493 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.513 -2.606 0.182 1.00 0.00 C ATOM 793 CZ PHE A 55 1.136 -3.332 -0.814 1.00 0.00 C ATOM 0 H PHE A 55 -5.250 -5.070 0.233 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.854 -6.209 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.588 -3.820 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.245 -3.492 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.429 -5.327 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.289 -2.292 1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.919 -4.878 -2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.058 -1.839 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.169 -3.136 -1.062 1.00 0.00 H new ATOM 803 N LEU A 56 -3.073 -5.528 2.931 1.00 0.00 N ATOM 804 CA LEU A 56 -2.486 -5.819 4.234 1.00 0.00 C ATOM 805 C LEU A 56 -2.388 -7.324 4.462 1.00 0.00 C ATOM 806 O LEU A 56 -1.303 -7.860 4.682 1.00 0.00 O ATOM 807 CB LEU A 56 -3.318 -5.176 5.346 1.00 0.00 C ATOM 808 CG LEU A 56 -3.748 -3.733 5.080 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.580 -3.202 6.237 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.532 -2.849 4.847 1.00 0.00 C ATOM 0 H LEU A 56 -3.931 -4.977 2.969 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.480 -5.400 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.210 -5.781 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.743 -5.203 6.271 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.362 -3.717 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.877 -2.174 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.470 -3.819 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.990 -3.232 7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.857 -1.826 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.892 -2.871 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.975 -3.217 3.985 1.00 0.00 H new ATOM 822 N ASN A 57 -3.531 -8.000 4.408 1.00 0.00 N ATOM 823 CA ASN A 57 -3.575 -9.444 4.610 1.00 0.00 C ATOM 824 C ASN A 57 -2.469 -10.137 3.820 1.00 0.00 C ATOM 825 O ASN A 57 -1.810 -11.047 4.324 1.00 0.00 O ATOM 826 CB ASN A 57 -4.939 -9.997 4.191 1.00 0.00 C ATOM 827 CG ASN A 57 -5.319 -11.244 4.966 1.00 0.00 C ATOM 828 OD1 ASN A 57 -4.456 -12.019 5.380 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.617 -11.445 5.164 1.00 0.00 N ATOM 0 H ASN A 57 -4.439 -7.572 4.226 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.420 -9.643 5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.700 -9.232 4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.924 -10.225 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.933 -12.268 5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.297 -10.776 4.803 1.00 0.00 H new ATOM 836 N GLU A 58 -2.271 -9.700 2.580 1.00 0.00 N ATOM 837 CA GLU A 58 -1.244 -10.279 1.721 1.00 0.00 C ATOM 838 C GLU A 58 0.111 -10.287 2.423 1.00 0.00 C ATOM 839 O GLU A 58 0.915 -11.199 2.234 1.00 0.00 O ATOM 840 CB GLU A 58 -1.147 -9.500 0.408 1.00 0.00 C ATOM 841 CG GLU A 58 -2.045 -10.044 -0.690 1.00 0.00 C ATOM 842 CD GLU A 58 -1.882 -9.297 -2.000 1.00 0.00 C ATOM 843 OE1 GLU A 58 -1.614 -8.078 -1.958 1.00 0.00 O ATOM 844 OE2 GLU A 58 -2.023 -9.931 -3.066 1.00 0.00 O ATOM 0 H GLU A 58 -2.808 -8.948 2.148 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.527 -11.309 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.405 -8.458 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.114 -9.515 0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.822 -11.099 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.085 -9.983 -0.368 1.00 0.00 H new ATOM 851 N GLY A 59 0.357 -9.262 3.233 1.00 0.00 N ATOM 852 CA GLY A 59 1.616 -9.169 3.950 1.00 0.00 C ATOM 853 C GLY A 59 1.545 -9.793 5.329 1.00 0.00 C ATOM 854 O GLY A 59 2.499 -10.423 5.783 1.00 0.00 O ATOM 0 H GLY A 59 -0.292 -8.495 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.397 -9.662 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.901 -8.121 4.043 1.00 0.00 H new ATOM 858 N GLY A 60 0.410 -9.616 6.000 1.00 0.00 N ATOM 859 CA GLY A 60 0.241 -10.172 7.330 1.00 0.00 C ATOM 860 C GLY A 60 -0.071 -9.110 8.366 1.00 0.00 C ATOM 861 O GLY A 60 0.282 -9.254 9.537 1.00 0.00 O ATOM 0 H GLY A 60 -0.394 -9.098 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.564 -10.907 7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.150 -10.700 7.618 1.00 0.00 H new ATOM 865 N ARG A 61 -0.733 -8.042 7.935 1.00 0.00 N ATOM 866 CA ARG A 61 -1.090 -6.950 8.834 1.00 0.00 C ATOM 867 C ARG A 61 -2.605 -6.795 8.926 1.00 0.00 C ATOM 868 O ARG A 61 -3.107 -5.766 9.377 1.00 0.00 O ATOM 869 CB ARG A 61 -0.460 -5.641 8.355 1.00 0.00 C ATOM 870 CG ARG A 61 1.031 -5.545 8.632 1.00 0.00 C ATOM 871 CD ARG A 61 1.311 -5.359 10.115 1.00 0.00 C ATOM 872 NE ARG A 61 2.655 -5.800 10.478 1.00 0.00 N ATOM 873 CZ ARG A 61 3.737 -5.040 10.352 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.633 -3.806 9.876 1.00 0.00 N ATOM 875 NH2 ARG A 61 4.926 -5.512 10.704 1.00 0.00 N ATOM 0 H ARG A 61 -1.033 -7.909 6.969 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.706 -7.188 9.826 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.629 -5.537 7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.965 -4.806 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.527 -6.449 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.453 -4.710 8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.191 -4.308 10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.577 -5.918 10.695 1.00 0.00 H new ATOM 0 HE ARG A 61 2.769 -6.743 10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.721 -3.439 9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.465 -3.224 9.780 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.010 -6.460 11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.756 -4.927 10.607 1.00 0.00 H new ATOM 889 N ALA A 62 -3.327 -7.824 8.496 1.00 0.00 N ATOM 890 CA ALA A 62 -4.784 -7.802 8.531 1.00 0.00 C ATOM 891 C ALA A 62 -5.294 -7.329 9.888 1.00 0.00 C ATOM 892 O ALA A 62 -6.245 -6.551 9.969 1.00 0.00 O ATOM 893 CB ALA A 62 -5.341 -9.181 8.209 1.00 0.00 C ATOM 0 H ALA A 62 -2.927 -8.683 8.119 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.129 -7.096 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.430 -9.150 8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.014 -9.482 7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.979 -9.900 8.943 1.00 0.00 H new ATOM 899 N THR A 63 -4.655 -7.802 10.953 1.00 0.00 N ATOM 900 CA THR A 63 -5.044 -7.428 12.307 1.00 0.00 C ATOM 901 C THR A 63 -5.000 -5.916 12.494 1.00 0.00 C ATOM 902 O THR A 63 -5.905 -5.328 13.085 1.00 0.00 O ATOM 903 CB THR A 63 -4.132 -8.091 13.357 1.00 0.00 C ATOM 904 OG1 THR A 63 -2.771 -7.702 13.139 1.00 0.00 O ATOM 905 CG2 THR A 63 -4.248 -9.606 13.295 1.00 0.00 C ATOM 0 H THR A 63 -3.865 -8.445 10.904 1.00 0.00 H new ATOM 0 HA THR A 63 -6.066 -7.779 12.451 1.00 0.00 H new ATOM 0 HB THR A 63 -4.451 -7.758 14.345 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.198 -8.126 13.811 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.595 -10.052 14.045 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.279 -9.900 13.490 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.953 -9.953 12.305 1.00 0.00 H new ATOM 913 N SER A 64 -3.942 -5.292 11.986 1.00 0.00 N ATOM 914 CA SER A 64 -3.779 -3.848 12.100 1.00 0.00 C ATOM 915 C SER A 64 -5.016 -3.119 11.585 1.00 0.00 C ATOM 916 O SER A 64 -5.619 -3.521 10.590 1.00 0.00 O ATOM 917 CB SER A 64 -2.543 -3.390 11.323 1.00 0.00 C ATOM 918 OG SER A 64 -1.964 -2.241 11.917 1.00 0.00 O ATOM 0 H SER A 64 -3.185 -5.764 11.492 1.00 0.00 H new ATOM 0 HA SER A 64 -3.648 -3.604 13.154 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.810 -4.196 11.292 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.819 -3.170 10.292 1.00 0.00 H new ATOM 0 HG SER A 64 -1.003 -2.386 12.041 1.00 0.00 H new ATOM 924 N LYS A 65 -5.389 -2.043 12.270 1.00 0.00 N ATOM 925 CA LYS A 65 -6.554 -1.255 11.883 1.00 0.00 C ATOM 926 C LYS A 65 -6.147 -0.082 10.998 1.00 0.00 C ATOM 927 O LYS A 65 -6.903 0.338 10.122 1.00 0.00 O ATOM 928 CB LYS A 65 -7.283 -0.741 13.127 1.00 0.00 C ATOM 929 CG LYS A 65 -6.376 -0.019 14.108 1.00 0.00 C ATOM 930 CD LYS A 65 -5.826 -0.966 15.161 1.00 0.00 C ATOM 931 CE LYS A 65 -4.466 -0.510 15.665 1.00 0.00 C ATOM 932 NZ LYS A 65 -4.586 0.583 16.670 1.00 0.00 N ATOM 0 H LYS A 65 -4.901 -1.696 13.096 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.226 -1.899 11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.080 -0.065 12.817 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.756 -1.582 13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.551 0.445 13.568 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.930 0.784 14.594 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.523 -1.027 15.997 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.742 -1.969 14.742 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.941 -1.356 16.109 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.863 -0.166 14.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.638 0.866 16.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.065 1.400 16.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.139 0.247 17.484 1.00 0.00 H new ATOM 946 N ASP A 66 -4.949 0.442 11.231 1.00 0.00 N ATOM 947 CA ASP A 66 -4.440 1.565 10.453 1.00 0.00 C ATOM 948 C ASP A 66 -3.592 1.076 9.283 1.00 0.00 C ATOM 949 O ASP A 66 -2.500 0.543 9.476 1.00 0.00 O ATOM 950 CB ASP A 66 -3.616 2.498 11.342 1.00 0.00 C ATOM 951 CG ASP A 66 -4.201 2.638 12.734 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.444 2.665 12.855 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.416 2.719 13.701 1.00 0.00 O ATOM 0 H ASP A 66 -4.312 0.107 11.953 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.293 2.115 10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.597 2.118 11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.557 3.481 10.875 1.00 0.00 H new ATOM 958 N TRP A 67 -4.103 1.262 8.071 1.00 0.00 N ATOM 959 CA TRP A 67 -3.393 0.838 6.870 1.00 0.00 C ATOM 960 C TRP A 67 -2.322 1.853 6.485 1.00 0.00 C ATOM 961 O TRP A 67 -1.325 1.508 5.849 1.00 0.00 O ATOM 962 CB TRP A 67 -4.374 0.650 5.712 1.00 0.00 C ATOM 963 CG TRP A 67 -5.241 1.847 5.467 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.408 2.158 6.104 1.00 0.00 C ATOM 965 CD2 TRP A 67 -5.010 2.893 4.516 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.917 3.334 5.607 1.00 0.00 N ATOM 967 CE2 TRP A 67 -6.077 3.805 4.632 1.00 0.00 C ATOM 968 CE3 TRP A 67 -4.005 3.148 3.580 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -6.166 4.950 3.846 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.094 4.285 2.800 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.168 5.175 2.937 1.00 0.00 C ATOM 0 H TRP A 67 -5.005 1.703 7.894 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.906 -0.114 7.083 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.814 0.424 4.804 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.008 -0.212 5.919 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.864 1.567 6.884 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.780 3.783 5.914 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.173 2.468 3.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.993 5.637 3.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.323 4.491 2.072 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.209 6.056 2.313 1.00 0.00 H new ATOM 982 N LYS A 68 -2.532 3.106 6.874 1.00 0.00 N ATOM 983 CA LYS A 68 -1.584 4.171 6.570 1.00 0.00 C ATOM 984 C LYS A 68 -0.267 3.953 7.308 1.00 0.00 C ATOM 985 O LYS A 68 0.784 4.422 6.873 1.00 0.00 O ATOM 986 CB LYS A 68 -2.175 5.531 6.951 1.00 0.00 C ATOM 987 CG LYS A 68 -3.363 5.938 6.097 1.00 0.00 C ATOM 988 CD LYS A 68 -4.050 7.175 6.651 1.00 0.00 C ATOM 989 CE LYS A 68 -5.495 7.267 6.184 1.00 0.00 C ATOM 990 NZ LYS A 68 -6.045 8.641 6.349 1.00 0.00 N ATOM 0 H LYS A 68 -3.351 3.409 7.401 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.387 4.154 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.482 5.504 7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.399 6.292 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.030 6.132 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.076 5.115 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.019 7.152 7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.507 8.066 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.557 6.974 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.105 6.562 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.031 8.662 6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.009 8.911 7.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.479 9.311 5.790 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.331 3.236 8.426 1.00 0.00 N ATOM 1005 CA GLY A 69 0.864 2.968 9.205 1.00 0.00 C ATOM 1006 C GLY A 69 1.581 1.712 8.751 1.00 0.00 C ATOM 1007 O GLY A 69 2.808 1.690 8.653 1.00 0.00 O ATOM 0 H GLY A 69 -1.189 2.836 8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.542 3.818 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.594 2.869 10.256 1.00 0.00 H new ATOM 1011 N VAL A 70 0.814 0.661 8.476 1.00 0.00 N ATOM 1012 CA VAL A 70 1.384 -0.605 8.031 1.00 0.00 C ATOM 1013 C VAL A 70 1.991 -0.476 6.639 1.00 0.00 C ATOM 1014 O VAL A 70 3.079 -0.990 6.375 1.00 0.00 O ATOM 1015 CB VAL A 70 0.324 -1.722 8.015 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.155 -2.026 9.427 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.844 -1.336 7.119 1.00 0.00 C ATOM 0 H VAL A 70 -0.203 0.662 8.554 1.00 0.00 H new ATOM 0 HA VAL A 70 2.167 -0.867 8.742 1.00 0.00 H new ATOM 0 HB VAL A 70 0.781 -2.625 7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.904 -2.818 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.689 -2.349 10.036 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.594 -1.129 9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.583 -2.137 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.301 -0.420 7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.485 -1.175 6.103 1.00 0.00 H new ATOM 1027 N ILE A 71 1.283 0.214 5.752 1.00 0.00 N ATOM 1028 CA ILE A 71 1.753 0.413 4.387 1.00 0.00 C ATOM 1029 C ILE A 71 2.790 1.528 4.319 1.00 0.00 C ATOM 1030 O ILE A 71 2.594 2.607 4.879 1.00 0.00 O ATOM 1031 CB ILE A 71 0.591 0.750 3.434 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.449 -0.373 3.445 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.112 0.982 2.024 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.722 -0.026 2.706 1.00 0.00 C ATOM 0 H ILE A 71 0.381 0.645 5.954 1.00 0.00 H new ATOM 0 HA ILE A 71 2.210 -0.525 4.072 1.00 0.00 H new ATOM 0 HB ILE A 71 0.113 1.667 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.012 -1.266 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.694 -0.620 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.279 1.219 1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.819 1.812 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.613 0.081 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.412 -0.868 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.183 0.848 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.490 0.192 1.664 1.00 0.00 H new ATOM 1046 N ARG A 72 3.894 1.262 3.629 1.00 0.00 N ATOM 1047 CA ARG A 72 4.963 2.243 3.487 1.00 0.00 C ATOM 1048 C ARG A 72 5.148 2.638 2.025 1.00 0.00 C ATOM 1049 O ARG A 72 5.140 1.787 1.136 1.00 0.00 O ATOM 1050 CB ARG A 72 6.273 1.686 4.046 1.00 0.00 C ATOM 1051 CG ARG A 72 6.167 1.207 5.484 1.00 0.00 C ATOM 1052 CD ARG A 72 7.517 0.758 6.023 1.00 0.00 C ATOM 1053 NE ARG A 72 7.864 -0.588 5.575 1.00 0.00 N ATOM 1054 CZ ARG A 72 9.090 -1.095 5.653 1.00 0.00 C ATOM 1055 NH1 ARG A 72 10.079 -0.372 6.159 1.00 0.00 N ATOM 1056 NH2 ARG A 72 9.327 -2.329 5.225 1.00 0.00 N ATOM 0 H ARG A 72 4.072 0.374 3.159 1.00 0.00 H new ATOM 0 HA ARG A 72 4.684 3.132 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.602 0.857 3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.041 2.457 3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.774 2.010 6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.458 0.381 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.288 1.458 5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.499 0.784 7.113 1.00 0.00 H new ATOM 0 HE ARG A 72 7.125 -1.171 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.900 0.576 6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.019 -0.764 6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.568 -2.888 4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.268 -2.718 5.285 1.00 0.00 H new ATOM 1070 N CYS A 73 5.314 3.934 1.785 1.00 0.00 N ATOM 1071 CA CYS A 73 5.500 4.443 0.430 1.00 0.00 C ATOM 1072 C CYS A 73 6.885 5.059 0.266 1.00 0.00 C ATOM 1073 O CYS A 73 7.154 6.149 0.768 1.00 0.00 O ATOM 1074 CB CYS A 73 4.425 5.479 0.100 1.00 0.00 C ATOM 1075 SG CYS A 73 4.687 6.342 -1.467 1.00 0.00 S ATOM 0 H CYS A 73 5.324 4.651 2.510 1.00 0.00 H new ATOM 0 HA CYS A 73 5.411 3.605 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.455 4.983 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.384 6.213 0.904 1.00 0.00 H new ATOM 0 HG CYS A 73 4.813 5.473 -2.425 1.00 0.00 H new ATOM 1081 N ASN A 74 7.762 4.352 -0.440 1.00 0.00 N ATOM 1082 CA ASN A 74 9.121 4.828 -0.668 1.00 0.00 C ATOM 1083 C ASN A 74 9.889 4.933 0.646 1.00 0.00 C ATOM 1084 O ASN A 74 10.738 5.807 0.813 1.00 0.00 O ATOM 1085 CB ASN A 74 9.096 6.189 -1.367 1.00 0.00 C ATOM 1086 CG ASN A 74 9.104 6.063 -2.878 1.00 0.00 C ATOM 1087 OD1 ASN A 74 9.838 5.250 -3.441 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.285 6.870 -3.543 1.00 0.00 N ATOM 0 H ASN A 74 7.555 3.448 -0.864 1.00 0.00 H new ATOM 0 HA ASN A 74 9.629 4.107 -1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.207 6.738 -1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.959 6.774 -1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.247 6.831 -4.562 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.694 7.528 -3.035 1.00 0.00 H new ATOM 1095 N GLY A 75 9.584 4.034 1.577 1.00 0.00 N ATOM 1096 CA GLY A 75 10.254 4.042 2.864 1.00 0.00 C ATOM 1097 C GLY A 75 9.557 4.931 3.875 1.00 0.00 C ATOM 1098 O GLY A 75 9.882 4.904 5.062 1.00 0.00 O ATOM 0 H GLY A 75 8.885 3.300 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.302 3.024 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.281 4.382 2.733 1.00 0.00 H new ATOM 1102 N GLU A 76 8.598 5.722 3.404 1.00 0.00 N ATOM 1103 CA GLU A 76 7.856 6.625 4.276 1.00 0.00 C ATOM 1104 C GLU A 76 6.380 6.241 4.328 1.00 0.00 C ATOM 1105 O GLU A 76 5.713 6.152 3.297 1.00 0.00 O ATOM 1106 CB GLU A 76 8.002 8.070 3.793 1.00 0.00 C ATOM 1107 CG GLU A 76 9.401 8.633 3.972 1.00 0.00 C ATOM 1108 CD GLU A 76 10.338 8.238 2.847 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.013 8.529 1.676 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.394 7.639 3.136 1.00 0.00 O ATOM 0 H GLU A 76 8.317 5.756 2.424 1.00 0.00 H new ATOM 0 HA GLU A 76 8.271 6.541 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.731 8.121 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.295 8.698 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.346 9.720 4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.810 8.284 4.920 1.00 0.00 H new ATOM 1117 N THR A 77 5.876 6.013 5.537 1.00 0.00 N ATOM 1118 CA THR A 77 4.481 5.637 5.725 1.00 0.00 C ATOM 1119 C THR A 77 3.546 6.649 5.073 1.00 0.00 C ATOM 1120 O THR A 77 3.851 7.839 5.010 1.00 0.00 O ATOM 1121 CB THR A 77 4.128 5.516 7.219 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.258 6.791 7.858 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.031 4.504 7.909 1.00 0.00 C ATOM 0 H THR A 77 6.414 6.082 6.401 1.00 0.00 H new ATOM 0 HA THR A 77 4.349 4.665 5.249 1.00 0.00 H new ATOM 0 HB THR A 77 3.096 5.173 7.299 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.030 6.706 8.807 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.762 4.436 8.963 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.909 3.528 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.070 4.822 7.819 1.00 0.00 H new ATOM 1131 N LEU A 78 2.405 6.168 4.591 1.00 0.00 N ATOM 1132 CA LEU A 78 1.424 7.032 3.944 1.00 0.00 C ATOM 1133 C LEU A 78 1.164 8.282 4.780 1.00 0.00 C ATOM 1134 O LEU A 78 1.199 9.401 4.269 1.00 0.00 O ATOM 1135 CB LEU A 78 0.114 6.273 3.720 1.00 0.00 C ATOM 1136 CG LEU A 78 0.249 4.968 2.936 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -1.076 4.223 2.906 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.739 5.244 1.523 1.00 0.00 C ATOM 0 H LEU A 78 2.137 5.185 4.636 1.00 0.00 H new ATOM 0 HA LEU A 78 1.828 7.339 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.331 6.052 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.581 6.926 3.192 1.00 0.00 H new ATOM 0 HG LEU A 78 0.984 4.339 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.960 3.297 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.387 3.992 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.833 4.845 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.829 4.304 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.028 5.892 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.712 5.734 1.564 1.00 0.00 H new ATOM 1150 N ARG A 79 0.904 8.081 6.068 1.00 0.00 N ATOM 1151 CA ARG A 79 0.637 9.191 6.975 1.00 0.00 C ATOM 1152 C ARG A 79 1.764 10.219 6.923 1.00 0.00 C ATOM 1153 O ARG A 79 1.520 11.425 6.961 1.00 0.00 O ATOM 1154 CB ARG A 79 0.466 8.678 8.406 1.00 0.00 C ATOM 1155 CG ARG A 79 0.117 9.768 9.406 1.00 0.00 C ATOM 1156 CD ARG A 79 0.458 9.350 10.828 1.00 0.00 C ATOM 1157 NE ARG A 79 -0.647 8.644 11.471 1.00 0.00 N ATOM 1158 CZ ARG A 79 -0.686 8.367 12.769 1.00 0.00 C ATOM 1159 NH1 ARG A 79 0.314 8.734 13.559 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -1.726 7.722 13.281 1.00 0.00 N ATOM 0 H ARG A 79 0.873 7.161 6.507 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.287 9.674 6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.317 7.920 8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.388 8.190 8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.657 10.681 9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.946 9.998 9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.340 8.709 10.816 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.714 10.233 11.414 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.432 8.347 10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.116 9.230 13.170 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.281 8.520 14.556 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.498 7.438 12.677 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.754 7.510 14.278 1.00 0.00 H new ATOM 1174 N HIS A 80 2.998 9.733 6.835 1.00 0.00 N ATOM 1175 CA HIS A 80 4.162 10.610 6.778 1.00 0.00 C ATOM 1176 C HIS A 80 4.109 11.504 5.543 1.00 0.00 C ATOM 1177 O HIS A 80 4.245 12.723 5.641 1.00 0.00 O ATOM 1178 CB HIS A 80 5.449 9.783 6.768 1.00 0.00 C ATOM 1179 CG HIS A 80 6.691 10.608 6.913 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.465 10.609 8.054 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.294 11.459 6.050 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.489 11.427 7.888 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.408 11.955 6.680 1.00 0.00 N ATOM 0 H HIS A 80 3.218 8.737 6.802 1.00 0.00 H new ATOM 0 HA HIS A 80 4.152 11.244 7.664 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.410 9.055 7.578 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.503 9.221 5.836 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.961 11.702 5.052 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.261 11.629 8.616 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.067 12.623 6.280 1.00 0.00 H new ATOM 1192 N LEU A 81 3.911 10.889 4.381 1.00 0.00 N ATOM 1193 CA LEU A 81 3.841 11.629 3.127 1.00 0.00 C ATOM 1194 C LEU A 81 2.702 12.644 3.157 1.00 0.00 C ATOM 1195 O LEU A 81 2.865 13.787 2.731 1.00 0.00 O ATOM 1196 CB LEU A 81 3.651 10.666 1.953 1.00 0.00 C ATOM 1197 CG LEU A 81 4.800 9.683 1.730 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.437 8.670 0.655 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.073 10.427 1.355 1.00 0.00 C ATOM 0 H LEU A 81 3.796 9.880 4.282 1.00 0.00 H new ATOM 0 HA LEU A 81 4.780 12.167 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.734 10.099 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.511 11.250 1.043 1.00 0.00 H new ATOM 0 HG LEU A 81 4.977 9.145 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.268 7.979 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.552 8.114 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.231 9.190 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.880 9.711 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.908 10.992 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.344 11.112 2.158 1.00 0.00 H new ATOM 1211 N GLU A 82 1.550 12.216 3.662 1.00 0.00 N ATOM 1212 CA GLU A 82 0.383 13.087 3.747 1.00 0.00 C ATOM 1213 C GLU A 82 0.717 14.371 4.501 1.00 0.00 C ATOM 1214 O GLU A 82 0.337 15.465 4.083 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.773 12.362 4.438 1.00 0.00 C ATOM 1216 CG GLU A 82 -2.034 13.202 4.556 1.00 0.00 C ATOM 1217 CD GLU A 82 -1.987 14.164 5.727 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.235 13.720 6.868 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -1.703 15.359 5.503 1.00 0.00 O ATOM 0 H GLU A 82 1.399 11.272 4.018 1.00 0.00 H new ATOM 0 HA GLU A 82 0.082 13.350 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.003 11.452 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.455 12.057 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.179 13.765 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.896 12.544 4.666 1.00 0.00 H new ATOM 1226 N GLN A 83 1.428 14.228 5.615 1.00 0.00 N ATOM 1227 CA GLN A 83 1.812 15.376 6.429 1.00 0.00 C ATOM 1228 C GLN A 83 2.570 16.404 5.596 1.00 0.00 C ATOM 1229 O GLN A 83 2.402 17.611 5.776 1.00 0.00 O ATOM 1230 CB GLN A 83 2.671 14.925 7.611 1.00 0.00 C ATOM 1231 CG GLN A 83 1.878 14.240 8.713 1.00 0.00 C ATOM 1232 CD GLN A 83 2.694 14.027 9.972 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.897 14.290 9.999 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.043 13.548 11.026 1.00 0.00 N ATOM 0 H GLN A 83 1.750 13.329 5.975 1.00 0.00 H new ATOM 0 HA GLN A 83 0.902 15.842 6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.441 14.242 7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.184 15.792 8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.000 14.841 8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.517 13.277 8.351 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.046 13.344 10.960 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.540 13.384 11.901 1.00 0.00 H new ATOM 1243 N LYS A 84 3.407 15.919 4.685 1.00 0.00 N ATOM 1244 CA LYS A 84 4.192 16.795 3.823 1.00 0.00 C ATOM 1245 C LYS A 84 3.361 17.282 2.640 1.00 0.00 C ATOM 1246 O LYS A 84 3.895 17.835 1.680 1.00 0.00 O ATOM 1247 CB LYS A 84 5.438 16.065 3.318 1.00 0.00 C ATOM 1248 CG LYS A 84 6.446 15.756 4.412 1.00 0.00 C ATOM 1249 CD LYS A 84 7.243 14.501 4.096 1.00 0.00 C ATOM 1250 CE LYS A 84 8.422 14.804 3.184 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.642 15.168 3.956 1.00 0.00 N ATOM 0 H LYS A 84 3.559 14.923 4.524 1.00 0.00 H new ATOM 0 HA LYS A 84 4.498 17.661 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.135 15.133 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.920 16.673 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.126 16.600 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.926 15.629 5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.604 14.055 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.593 13.766 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.632 13.934 2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.160 15.621 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.423 15.367 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.450 16.013 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.907 14.378 4.579 1.00 0.00 H new ATOM 1265 N GLY A 85 2.050 17.072 2.717 1.00 0.00 N ATOM 1266 CA GLY A 85 1.167 17.497 1.647 1.00 0.00 C ATOM 1267 C GLY A 85 1.498 16.834 0.324 1.00 0.00 C ATOM 1268 O GLY A 85 1.328 17.432 -0.738 1.00 0.00 O ATOM 0 H GLY A 85 1.584 16.615 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.137 17.267 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.233 18.579 1.534 1.00 0.00 H new ATOM 1272 N LEU A 86 1.974 15.595 0.388 1.00 0.00 N ATOM 1273 CA LEU A 86 2.332 14.851 -0.814 1.00 0.00 C ATOM 1274 C LEU A 86 1.264 13.815 -1.151 1.00 0.00 C ATOM 1275 O LEU A 86 1.002 13.537 -2.321 1.00 0.00 O ATOM 1276 CB LEU A 86 3.686 14.162 -0.628 1.00 0.00 C ATOM 1277 CG LEU A 86 4.794 15.055 -0.068 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.002 14.221 0.331 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.190 16.114 -1.086 1.00 0.00 C ATOM 0 H LEU A 86 2.121 15.085 1.259 1.00 0.00 H new ATOM 0 HA LEU A 86 2.402 15.557 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.555 13.310 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.011 13.766 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 86 4.414 15.557 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.780 14.874 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.710 13.500 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.383 13.691 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.979 16.741 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.551 15.630 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.324 16.732 -1.324 1.00 0.00 H new ATOM 1291 N LEU A 87 0.652 13.248 -0.118 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.388 12.242 -0.303 1.00 0.00 C ATOM 1293 C LEU A 87 -1.735 12.754 0.198 1.00 0.00 C ATOM 1294 O LEU A 87 -1.924 12.967 1.395 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.015 10.951 0.429 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.501 9.665 -0.238 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.296 8.470 0.260 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.987 9.461 0.019 1.00 0.00 C ATOM 0 H LEU A 87 0.858 13.467 0.857 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.472 12.035 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.070 10.906 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.421 10.994 1.439 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.346 9.755 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.065 7.564 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.351 8.613 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.174 8.376 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.317 8.541 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.165 9.392 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.546 10.304 -0.388 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.669 12.948 -0.728 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.999 13.436 -0.381 1.00 0.00 C ATOM 1312 C PHE A 88 -4.599 12.616 0.757 1.00 0.00 C ATOM 1313 O PHE A 88 -5.291 13.150 1.624 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.918 13.384 -1.603 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.512 12.026 -1.848 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.697 10.919 -2.017 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.886 11.858 -1.910 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.241 9.668 -2.243 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.436 10.610 -2.135 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.612 9.514 -2.303 1.00 0.00 C ATOM 0 H PHE A 88 -2.529 12.775 -1.723 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.905 14.470 -0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.724 14.106 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.355 13.690 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.624 11.034 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.535 12.712 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.595 8.813 -2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.509 10.492 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.039 8.538 -2.481 1.00 0.00 H new ATOM 1330 N SER A 89 -4.329 11.314 0.747 1.00 0.00 N ATOM 1331 CA SER A 89 -4.846 10.419 1.775 1.00 0.00 C ATOM 1332 C SER A 89 -6.356 10.577 1.925 1.00 0.00 C ATOM 1333 O SER A 89 -6.878 10.634 3.037 1.00 0.00 O ATOM 1334 CB SER A 89 -4.158 10.694 3.114 1.00 0.00 C ATOM 1335 OG SER A 89 -2.784 10.351 3.061 1.00 0.00 O ATOM 0 H SER A 89 -3.755 10.856 0.039 1.00 0.00 H new ATOM 0 HA SER A 89 -4.634 9.395 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.263 11.748 3.371 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.648 10.123 3.903 1.00 0.00 H new ATOM 0 HG SER A 89 -2.505 9.984 3.926 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.052 10.649 0.794 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.495 10.800 0.820 1.00 0.00 C ATOM 1343 C GLY A 90 -8.925 12.180 1.279 1.00 0.00 C ATOM 1344 O GLY A 90 -8.109 13.089 1.431 1.00 0.00 O ATOM 0 H GLY A 90 -6.642 10.605 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.895 10.611 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.924 10.049 1.484 1.00 0.00 H new ATOM 1348 N PRO A 91 -10.236 12.350 1.505 1.00 0.00 N ATOM 1349 CA PRO A 91 -10.803 13.627 1.951 1.00 0.00 C ATOM 1350 C PRO A 91 -10.411 13.966 3.385 1.00 0.00 C ATOM 1351 O PRO A 91 -10.129 13.076 4.188 1.00 0.00 O ATOM 1352 CB PRO A 91 -12.313 13.399 1.849 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.484 11.925 1.977 1.00 0.00 C ATOM 1354 CD PRO A 91 -11.266 11.310 1.344 1.00 0.00 C ATOM 0 HA PRO A 91 -10.443 14.464 1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.847 13.929 2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.705 13.762 0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.570 11.632 3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.394 11.593 1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.981 10.382 1.839 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.436 11.072 0.294 1.00 0.00 H new ATOM 1362 N SER A 92 -10.397 15.257 3.700 1.00 0.00 N ATOM 1363 CA SER A 92 -10.036 15.713 5.038 1.00 0.00 C ATOM 1364 C SER A 92 -11.233 15.632 5.980 1.00 0.00 C ATOM 1365 O SER A 92 -11.115 15.162 7.112 1.00 0.00 O ATOM 1366 CB SER A 92 -9.510 17.149 4.985 1.00 0.00 C ATOM 1367 OG SER A 92 -8.282 17.217 4.281 1.00 0.00 O ATOM 0 H SER A 92 -10.631 16.006 3.048 1.00 0.00 H new ATOM 0 HA SER A 92 -9.251 15.060 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.246 17.791 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.373 17.527 5.998 1.00 0.00 H new ATOM 0 HG SER A 92 -7.968 18.145 4.260 1.00 0.00 H new ATOM 1373 N SER A 93 -12.385 16.094 5.505 1.00 0.00 N ATOM 1374 CA SER A 93 -13.604 16.078 6.306 1.00 0.00 C ATOM 1375 C SER A 93 -14.223 14.683 6.324 1.00 0.00 C ATOM 1376 O SER A 93 -14.643 14.164 5.291 1.00 0.00 O ATOM 1377 CB SER A 93 -14.613 17.089 5.757 1.00 0.00 C ATOM 1378 OG SER A 93 -15.597 17.404 6.727 1.00 0.00 O ATOM 0 H SER A 93 -12.500 16.484 4.570 1.00 0.00 H new ATOM 0 HA SER A 93 -13.343 16.354 7.328 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.094 17.998 5.453 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.092 16.682 4.866 1.00 0.00 H new ATOM 0 HG SER A 93 -16.229 18.053 6.353 1.00 0.00 H new ATOM 1384 N GLY A 94 -14.276 14.082 7.509 1.00 0.00 N ATOM 1385 CA GLY A 94 -14.844 12.753 7.642 1.00 0.00 C ATOM 1386 C GLY A 94 -14.058 11.707 6.877 1.00 0.00 C ATOM 1387 O GLY A 94 -13.260 10.973 7.459 1.00 0.00 O ATOM 0 H GLY A 94 -13.936 14.492 8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.877 12.479 8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.873 12.764 7.283 1.00 0.00 H new TER 1391 GLY A 94