USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 581 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 40 SER OG : rot 180:sc= 0.0942 USER MOD Set 1.2: A 49 SER OG : rot -56:sc= 0.0933 USER MOD Set 2.1: A 27 HIS :FLIP no HD1:sc= -6.12! C(o=-7.1!,f=-6.1!) USER MOD Set 2.2: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 20 SER OG : rot 180:sc= -0.075 USER MOD Set 3.2: A 21 ASN : amide:sc= 0 X(o=-0.075,f=-0.075) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 MET CE :methyl 171:sc= 0 (180deg=-0.0465) USER MOD Single : A 23 GLN : amide:sc= -0.664 K(o=-0.66,f=-4!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc=-0.00579 (180deg=-0.485) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0893 K(o=-0.089,f=-2.1!) USER MOD Single : A 35 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-2.4) USER MOD Single : A 36 GLN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -52:sc= 0.44 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.779 F(o=-2.5,f=-0.78) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= 0.882 (180deg=-0.00769) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.438 -18.162 -1.553 1.00 0.00 N ATOM 2 CA GLY A 1 -16.004 -17.095 -2.357 1.00 0.00 C ATOM 3 C GLY A 1 -16.587 -15.980 -1.513 1.00 0.00 C ATOM 4 O GLY A 1 -16.041 -14.878 -1.465 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.053 -18.900 -2.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.676 -17.780 -0.956 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.179 -18.572 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.232 -16.687 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.782 -17.504 -3.001 1.00 0.00 H new ATOM 8 N SER A 2 -17.701 -16.265 -0.846 1.00 0.00 N ATOM 9 CA SER A 2 -18.363 -15.275 -0.004 1.00 0.00 C ATOM 10 C SER A 2 -18.825 -14.079 -0.832 1.00 0.00 C ATOM 11 O SER A 2 -18.678 -12.930 -0.417 1.00 0.00 O ATOM 12 CB SER A 2 -17.420 -14.808 1.106 1.00 0.00 C ATOM 13 OG SER A 2 -16.983 -15.899 1.898 1.00 0.00 O ATOM 0 H SER A 2 -18.164 -17.173 -0.872 1.00 0.00 H new ATOM 0 HA SER A 2 -19.239 -15.743 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.558 -14.305 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.928 -14.078 1.736 1.00 0.00 H new ATOM 0 HG SER A 2 -16.380 -15.574 2.599 1.00 0.00 H new ATOM 19 N SER A 3 -19.384 -14.360 -2.004 1.00 0.00 N ATOM 20 CA SER A 3 -19.864 -13.309 -2.893 1.00 0.00 C ATOM 21 C SER A 3 -21.319 -12.963 -2.589 1.00 0.00 C ATOM 22 O SER A 3 -22.125 -13.838 -2.277 1.00 0.00 O ATOM 23 CB SER A 3 -19.727 -13.743 -4.353 1.00 0.00 C ATOM 24 OG SER A 3 -18.463 -13.374 -4.878 1.00 0.00 O ATOM 0 H SER A 3 -19.516 -15.307 -2.360 1.00 0.00 H new ATOM 0 HA SER A 3 -19.254 -12.421 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.854 -14.823 -4.428 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.519 -13.286 -4.947 1.00 0.00 H new ATOM 0 HG SER A 3 -18.399 -13.664 -5.812 1.00 0.00 H new ATOM 30 N GLY A 4 -21.647 -11.677 -2.682 1.00 0.00 N ATOM 31 CA GLY A 4 -23.003 -11.237 -2.413 1.00 0.00 C ATOM 32 C GLY A 4 -23.809 -11.035 -3.681 1.00 0.00 C ATOM 33 O GLY A 4 -23.562 -10.096 -4.438 1.00 0.00 O ATOM 0 H GLY A 4 -20.998 -10.933 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.502 -11.973 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.974 -10.303 -1.852 1.00 0.00 H new ATOM 37 N SER A 5 -24.774 -11.918 -3.915 1.00 0.00 N ATOM 38 CA SER A 5 -25.615 -11.835 -5.103 1.00 0.00 C ATOM 39 C SER A 5 -26.376 -10.514 -5.139 1.00 0.00 C ATOM 40 O SER A 5 -26.476 -9.870 -6.184 1.00 0.00 O ATOM 41 CB SER A 5 -26.600 -13.005 -5.139 1.00 0.00 C ATOM 42 OG SER A 5 -27.419 -13.019 -3.983 1.00 0.00 O ATOM 0 H SER A 5 -24.993 -12.700 -3.297 1.00 0.00 H new ATOM 0 HA SER A 5 -24.969 -11.886 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.224 -12.931 -6.030 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.051 -13.944 -5.211 1.00 0.00 H new ATOM 0 HG SER A 5 -28.041 -13.775 -4.032 1.00 0.00 H new ATOM 48 N SER A 6 -26.912 -10.115 -3.990 1.00 0.00 N ATOM 49 CA SER A 6 -27.668 -8.873 -3.889 1.00 0.00 C ATOM 50 C SER A 6 -26.932 -7.858 -3.020 1.00 0.00 C ATOM 51 O SER A 6 -26.667 -8.106 -1.845 1.00 0.00 O ATOM 52 CB SER A 6 -29.059 -9.142 -3.311 1.00 0.00 C ATOM 53 OG SER A 6 -29.994 -8.177 -3.760 1.00 0.00 O ATOM 0 H SER A 6 -26.836 -10.635 -3.116 1.00 0.00 H new ATOM 0 HA SER A 6 -27.773 -8.459 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.391 -10.138 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.012 -9.128 -2.222 1.00 0.00 H new ATOM 0 HG SER A 6 -30.875 -8.372 -3.378 1.00 0.00 H new ATOM 59 N GLY A 7 -26.603 -6.712 -3.609 1.00 0.00 N ATOM 60 CA GLY A 7 -25.901 -5.675 -2.875 1.00 0.00 C ATOM 61 C GLY A 7 -24.444 -5.566 -3.279 1.00 0.00 C ATOM 62 O GLY A 7 -23.850 -6.533 -3.754 1.00 0.00 O ATOM 0 H GLY A 7 -26.810 -6.483 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.394 -4.718 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.964 -5.883 -1.807 1.00 0.00 H new ATOM 66 N MET A 8 -23.867 -4.383 -3.091 1.00 0.00 N ATOM 67 CA MET A 8 -22.470 -4.151 -3.440 1.00 0.00 C ATOM 68 C MET A 8 -21.739 -3.434 -2.309 1.00 0.00 C ATOM 69 O MET A 8 -22.137 -2.357 -1.865 1.00 0.00 O ATOM 70 CB MET A 8 -22.373 -3.330 -4.727 1.00 0.00 C ATOM 71 CG MET A 8 -22.519 -4.161 -5.991 1.00 0.00 C ATOM 72 SD MET A 8 -23.214 -3.221 -7.364 1.00 0.00 S ATOM 73 CE MET A 8 -21.980 -1.936 -7.553 1.00 0.00 C ATOM 0 H MET A 8 -24.345 -3.571 -2.699 1.00 0.00 H new ATOM 0 HA MET A 8 -21.996 -5.119 -3.599 1.00 0.00 H new ATOM 0 HB2 MET A 8 -23.145 -2.561 -4.717 1.00 0.00 H new ATOM 0 HB3 MET A 8 -21.412 -2.816 -4.749 1.00 0.00 H new ATOM 0 HG2 MET A 8 -21.543 -4.551 -6.280 1.00 0.00 H new ATOM 0 HG3 MET A 8 -23.157 -5.020 -5.784 1.00 0.00 H new ATOM 0 HE1 MET A 8 -22.182 -1.369 -8.462 1.00 0.00 H new ATOM 0 HE2 MET A 8 -22.016 -1.268 -6.693 1.00 0.00 H new ATOM 0 HE3 MET A 8 -20.991 -2.389 -7.620 1.00 0.00 H new ATOM 83 N PRO A 9 -20.644 -4.044 -1.831 1.00 0.00 N ATOM 84 CA PRO A 9 -19.835 -3.482 -0.746 1.00 0.00 C ATOM 85 C PRO A 9 -19.071 -2.235 -1.179 1.00 0.00 C ATOM 86 O PRO A 9 -18.845 -2.015 -2.369 1.00 0.00 O ATOM 87 CB PRO A 9 -18.863 -4.613 -0.405 1.00 0.00 C ATOM 88 CG PRO A 9 -18.762 -5.416 -1.655 1.00 0.00 C ATOM 89 CD PRO A 9 -20.112 -5.330 -2.313 1.00 0.00 C ATOM 0 HA PRO A 9 -20.449 -3.161 0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -17.890 -4.222 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.233 -5.216 0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.983 -5.023 -2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.501 -6.451 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -20.031 -5.350 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -20.753 -6.163 -2.026 1.00 0.00 H new ATOM 97 N CYS A 10 -18.674 -1.422 -0.206 1.00 0.00 N ATOM 98 CA CYS A 10 -17.934 -0.197 -0.486 1.00 0.00 C ATOM 99 C CYS A 10 -16.480 -0.506 -0.831 1.00 0.00 C ATOM 100 O CYS A 10 -15.680 -0.834 0.045 1.00 0.00 O ATOM 101 CB CYS A 10 -17.995 0.746 0.717 1.00 0.00 C ATOM 102 SG CYS A 10 -17.454 2.448 0.355 1.00 0.00 S ATOM 0 H CYS A 10 -18.852 -1.589 0.784 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.397 0.289 -1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -19.018 0.773 1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -17.373 0.340 1.515 1.00 0.00 H new ATOM 107 N ASP A 11 -16.146 -0.400 -2.112 1.00 0.00 N ATOM 108 CA ASP A 11 -14.789 -0.667 -2.573 1.00 0.00 C ATOM 109 C ASP A 11 -13.765 -0.228 -1.531 1.00 0.00 C ATOM 110 O ASP A 11 -12.759 -0.903 -1.311 1.00 0.00 O ATOM 111 CB ASP A 11 -14.527 0.052 -3.898 1.00 0.00 C ATOM 112 CG ASP A 11 -13.048 0.229 -4.178 1.00 0.00 C ATOM 113 OD1 ASP A 11 -12.354 -0.791 -4.369 1.00 0.00 O ATOM 114 OD2 ASP A 11 -12.583 1.388 -4.205 1.00 0.00 O ATOM 0 H ASP A 11 -16.797 -0.131 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.688 -1.742 -2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.983 -0.513 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.010 1.029 -3.879 1.00 0.00 H new ATOM 119 N PHE A 12 -14.027 0.908 -0.893 1.00 0.00 N ATOM 120 CA PHE A 12 -13.127 1.439 0.124 1.00 0.00 C ATOM 121 C PHE A 12 -12.967 0.451 1.276 1.00 0.00 C ATOM 122 O PHE A 12 -13.941 -0.030 1.855 1.00 0.00 O ATOM 123 CB PHE A 12 -13.652 2.775 0.652 1.00 0.00 C ATOM 124 CG PHE A 12 -12.567 3.706 1.112 1.00 0.00 C ATOM 125 CD1 PHE A 12 -11.982 3.547 2.359 1.00 0.00 C ATOM 126 CD2 PHE A 12 -12.131 4.739 0.299 1.00 0.00 C ATOM 127 CE1 PHE A 12 -10.984 4.403 2.785 1.00 0.00 C ATOM 128 CE2 PHE A 12 -11.132 5.597 0.719 1.00 0.00 C ATOM 129 CZ PHE A 12 -10.557 5.428 1.963 1.00 0.00 C ATOM 0 H PHE A 12 -14.855 1.479 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 12 -12.151 1.596 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -14.231 3.264 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -14.334 2.586 1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.310 2.746 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.577 4.876 -0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.538 4.271 3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.802 6.399 0.075 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.775 6.096 2.293 1.00 0.00 H new ATOM 139 N PRO A 13 -11.707 0.141 1.618 1.00 0.00 N ATOM 140 CA PRO A 13 -11.388 -0.792 2.703 1.00 0.00 C ATOM 141 C PRO A 13 -11.723 -0.220 4.076 1.00 0.00 C ATOM 142 O PRO A 13 -11.609 0.984 4.302 1.00 0.00 O ATOM 143 CB PRO A 13 -9.878 -0.996 2.562 1.00 0.00 C ATOM 144 CG PRO A 13 -9.390 0.240 1.888 1.00 0.00 C ATOM 145 CD PRO A 13 -10.498 0.677 0.971 1.00 0.00 C ATOM 0 HA PRO A 13 -11.965 -1.714 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.404 -1.130 3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.652 -1.884 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.158 1.016 2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.475 0.044 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.539 1.762 0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.369 0.276 -0.035 1.00 0.00 H new ATOM 153 N GLY A 14 -12.137 -1.092 4.991 1.00 0.00 N ATOM 154 CA GLY A 14 -12.481 -0.654 6.331 1.00 0.00 C ATOM 155 C GLY A 14 -13.910 -0.158 6.429 1.00 0.00 C ATOM 156 O GLY A 14 -14.658 -0.568 7.317 1.00 0.00 O ATOM 0 H GLY A 14 -12.240 -2.094 4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.337 -1.480 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.802 0.142 6.636 1.00 0.00 H new ATOM 160 N CYS A 15 -14.292 0.728 5.515 1.00 0.00 N ATOM 161 CA CYS A 15 -15.640 1.283 5.503 1.00 0.00 C ATOM 162 C CYS A 15 -16.663 0.236 5.934 1.00 0.00 C ATOM 163 O CYS A 15 -17.510 0.496 6.787 1.00 0.00 O ATOM 164 CB CYS A 15 -15.986 1.806 4.107 1.00 0.00 C ATOM 165 SG CYS A 15 -17.612 2.619 4.000 1.00 0.00 S ATOM 0 H CYS A 15 -13.686 1.077 4.772 1.00 0.00 H new ATOM 0 HA CYS A 15 -15.672 2.110 6.212 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -15.217 2.513 3.794 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -15.960 0.975 3.402 1.00 0.00 H new ATOM 170 N GLY A 16 -16.576 -0.949 5.338 1.00 0.00 N ATOM 171 CA GLY A 16 -17.499 -2.017 5.673 1.00 0.00 C ATOM 172 C GLY A 16 -18.947 -1.619 5.465 1.00 0.00 C ATOM 173 O GLY A 16 -19.798 -1.882 6.315 1.00 0.00 O ATOM 0 H GLY A 16 -15.883 -1.188 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -17.275 -2.892 5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.351 -2.308 6.713 1.00 0.00 H new ATOM 177 N ARG A 17 -19.227 -0.981 4.333 1.00 0.00 N ATOM 178 CA ARG A 17 -20.581 -0.543 4.018 1.00 0.00 C ATOM 179 C ARG A 17 -21.094 -1.226 2.754 1.00 0.00 C ATOM 180 O ARG A 17 -20.327 -1.495 1.828 1.00 0.00 O ATOM 181 CB ARG A 17 -20.621 0.976 3.842 1.00 0.00 C ATOM 182 CG ARG A 17 -20.627 1.742 5.154 1.00 0.00 C ATOM 183 CD ARG A 17 -21.176 3.149 4.976 1.00 0.00 C ATOM 184 NE ARG A 17 -21.230 3.880 6.239 1.00 0.00 N ATOM 185 CZ ARG A 17 -22.206 3.738 7.129 1.00 0.00 C ATOM 186 NH1 ARG A 17 -23.204 2.897 6.895 1.00 0.00 N ATOM 187 NH2 ARG A 17 -22.185 4.439 8.256 1.00 0.00 N ATOM 0 H ARG A 17 -18.534 -0.756 3.619 1.00 0.00 H new ATOM 0 HA ARG A 17 -21.228 -0.823 4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.758 1.288 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -21.510 1.244 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -21.229 1.205 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -19.613 1.794 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -20.552 3.695 4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -22.176 3.096 4.545 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.477 4.535 6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -23.224 2.357 6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -23.952 2.790 7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.419 5.087 8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -22.935 4.329 8.939 1.00 0.00 H new ATOM 201 N ILE A 18 -22.392 -1.505 2.723 1.00 0.00 N ATOM 202 CA ILE A 18 -23.006 -2.156 1.572 1.00 0.00 C ATOM 203 C ILE A 18 -24.248 -1.401 1.111 1.00 0.00 C ATOM 204 O ILE A 18 -25.038 -0.926 1.928 1.00 0.00 O ATOM 205 CB ILE A 18 -23.392 -3.613 1.889 1.00 0.00 C ATOM 206 CG1 ILE A 18 -22.155 -4.413 2.301 1.00 0.00 C ATOM 207 CG2 ILE A 18 -24.069 -4.255 0.688 1.00 0.00 C ATOM 208 CD1 ILE A 18 -22.477 -5.790 2.838 1.00 0.00 C ATOM 0 H ILE A 18 -23.039 -1.291 3.482 1.00 0.00 H new ATOM 0 HA ILE A 18 -22.264 -2.151 0.774 1.00 0.00 H new ATOM 0 HB ILE A 18 -24.096 -3.614 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -21.494 -4.513 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -21.608 -3.855 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -24.336 -5.284 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -24.970 -3.696 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -23.387 -4.246 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -21.553 -6.300 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -23.113 -5.698 3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -22.998 -6.366 2.073 1.00 0.00 H new ATOM 220 N PHE A 19 -24.417 -1.296 -0.203 1.00 0.00 N ATOM 221 CA PHE A 19 -25.564 -0.600 -0.774 1.00 0.00 C ATOM 222 C PHE A 19 -26.115 -1.357 -1.979 1.00 0.00 C ATOM 223 O PHE A 19 -25.360 -1.809 -2.839 1.00 0.00 O ATOM 224 CB PHE A 19 -25.173 0.821 -1.184 1.00 0.00 C ATOM 225 CG PHE A 19 -24.400 1.559 -0.129 1.00 0.00 C ATOM 226 CD1 PHE A 19 -23.074 1.245 0.124 1.00 0.00 C ATOM 227 CD2 PHE A 19 -24.998 2.566 0.610 1.00 0.00 C ATOM 228 CE1 PHE A 19 -22.361 1.922 1.095 1.00 0.00 C ATOM 229 CE2 PHE A 19 -24.290 3.247 1.582 1.00 0.00 C ATOM 230 CZ PHE A 19 -22.969 2.925 1.824 1.00 0.00 C ATOM 0 H PHE A 19 -23.774 -1.684 -0.893 1.00 0.00 H new ATOM 0 HA PHE A 19 -26.342 -0.549 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -24.577 0.776 -2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -26.076 1.383 -1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -22.593 0.463 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -26.031 2.822 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -21.329 1.667 1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -24.769 4.030 2.151 1.00 0.00 H new ATOM 0 HZ PHE A 19 -22.413 3.457 2.582 1.00 0.00 H new ATOM 240 N SER A 20 -27.437 -1.490 -2.032 1.00 0.00 N ATOM 241 CA SER A 20 -28.090 -2.195 -3.129 1.00 0.00 C ATOM 242 C SER A 20 -28.066 -1.358 -4.404 1.00 0.00 C ATOM 243 O SER A 20 -27.789 -1.868 -5.489 1.00 0.00 O ATOM 244 CB SER A 20 -29.534 -2.536 -2.756 1.00 0.00 C ATOM 245 OG SER A 20 -30.335 -1.369 -2.699 1.00 0.00 O ATOM 0 H SER A 20 -28.076 -1.119 -1.329 1.00 0.00 H new ATOM 0 HA SER A 20 -27.542 -3.119 -3.312 1.00 0.00 H new ATOM 0 HB2 SER A 20 -29.948 -3.230 -3.488 1.00 0.00 H new ATOM 0 HB3 SER A 20 -29.554 -3.042 -1.791 1.00 0.00 H new ATOM 0 HG SER A 20 -31.253 -1.614 -2.460 1.00 0.00 H new ATOM 251 N ASN A 21 -28.358 -0.069 -4.264 1.00 0.00 N ATOM 252 CA ASN A 21 -28.371 0.840 -5.404 1.00 0.00 C ATOM 253 C ASN A 21 -27.003 1.487 -5.599 1.00 0.00 C ATOM 254 O ASN A 21 -26.370 1.925 -4.639 1.00 0.00 O ATOM 255 CB ASN A 21 -29.436 1.921 -5.208 1.00 0.00 C ATOM 256 CG ASN A 21 -30.797 1.340 -4.876 1.00 0.00 C ATOM 257 OD1 ASN A 21 -31.189 1.275 -3.711 1.00 0.00 O ATOM 258 ND2 ASN A 21 -31.523 0.913 -5.902 1.00 0.00 N ATOM 0 H ASN A 21 -28.589 0.369 -3.372 1.00 0.00 H new ATOM 0 HA ASN A 21 -28.610 0.261 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -29.125 2.592 -4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -29.512 2.521 -6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -32.447 0.511 -5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -31.157 0.987 -6.851 1.00 0.00 H new ATOM 265 N ARG A 22 -26.555 1.543 -6.849 1.00 0.00 N ATOM 266 CA ARG A 22 -25.262 2.136 -7.171 1.00 0.00 C ATOM 267 C ARG A 22 -25.246 3.623 -6.829 1.00 0.00 C ATOM 268 O ARG A 22 -24.402 4.083 -6.061 1.00 0.00 O ATOM 269 CB ARG A 22 -24.942 1.939 -8.654 1.00 0.00 C ATOM 270 CG ARG A 22 -23.454 1.964 -8.964 1.00 0.00 C ATOM 271 CD ARG A 22 -23.189 2.446 -10.382 1.00 0.00 C ATOM 272 NE ARG A 22 -23.169 1.344 -11.340 1.00 0.00 N ATOM 273 CZ ARG A 22 -23.287 1.509 -12.652 1.00 0.00 C ATOM 274 NH1 ARG A 22 -23.433 2.724 -13.161 1.00 0.00 N ATOM 275 NH2 ARG A 22 -23.260 0.456 -13.460 1.00 0.00 N ATOM 0 H ARG A 22 -27.068 1.185 -7.655 1.00 0.00 H new ATOM 0 HA ARG A 22 -24.501 1.635 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -25.357 0.987 -8.983 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -25.438 2.720 -9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -22.944 2.617 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -23.037 0.965 -8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -23.957 3.163 -10.671 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -22.234 2.971 -10.414 1.00 0.00 H new ATOM 0 HE ARG A 22 -23.058 0.396 -10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -23.455 3.536 -12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -23.523 2.847 -14.170 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -23.149 -0.481 -13.073 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -23.351 0.584 -14.468 1.00 0.00 H new ATOM 289 N GLN A 23 -26.183 4.368 -7.406 1.00 0.00 N ATOM 290 CA GLN A 23 -26.275 5.803 -7.163 1.00 0.00 C ATOM 291 C GLN A 23 -25.987 6.127 -5.701 1.00 0.00 C ATOM 292 O GLN A 23 -25.158 6.985 -5.397 1.00 0.00 O ATOM 293 CB GLN A 23 -27.662 6.319 -7.549 1.00 0.00 C ATOM 294 CG GLN A 23 -27.831 6.555 -9.041 1.00 0.00 C ATOM 295 CD GLN A 23 -27.076 7.776 -9.527 1.00 0.00 C ATOM 296 OE1 GLN A 23 -26.123 8.226 -8.890 1.00 0.00 O ATOM 297 NE2 GLN A 23 -27.498 8.320 -10.663 1.00 0.00 N ATOM 0 H GLN A 23 -26.889 4.002 -8.045 1.00 0.00 H new ATOM 0 HA GLN A 23 -25.526 6.299 -7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -28.413 5.602 -7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -27.854 7.251 -7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -27.484 5.677 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -28.890 6.673 -9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -28.292 7.915 -11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -27.028 9.143 -11.040 1.00 0.00 H new ATOM 306 N TYR A 24 -26.677 5.436 -4.800 1.00 0.00 N ATOM 307 CA TYR A 24 -26.497 5.653 -3.370 1.00 0.00 C ATOM 308 C TYR A 24 -25.048 5.410 -2.960 1.00 0.00 C ATOM 309 O TYR A 24 -24.461 6.195 -2.214 1.00 0.00 O ATOM 310 CB TYR A 24 -27.425 4.734 -2.573 1.00 0.00 C ATOM 311 CG TYR A 24 -28.786 5.334 -2.303 1.00 0.00 C ATOM 312 CD1 TYR A 24 -29.818 5.207 -3.224 1.00 0.00 C ATOM 313 CD2 TYR A 24 -29.040 6.027 -1.126 1.00 0.00 C ATOM 314 CE1 TYR A 24 -31.063 5.754 -2.982 1.00 0.00 C ATOM 315 CE2 TYR A 24 -30.282 6.576 -0.875 1.00 0.00 C ATOM 316 CZ TYR A 24 -31.290 6.438 -1.806 1.00 0.00 C ATOM 317 OH TYR A 24 -32.529 6.984 -1.560 1.00 0.00 O ATOM 0 H TYR A 24 -27.366 4.721 -5.035 1.00 0.00 H new ATOM 0 HA TYR A 24 -26.748 6.691 -3.151 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -27.551 3.798 -3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -26.951 4.488 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -29.644 4.671 -4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -28.253 6.138 -0.395 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -31.854 5.647 -3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -30.463 7.111 0.046 1.00 0.00 H new ATOM 0 HH TYR A 24 -32.522 7.431 -0.688 1.00 0.00 H new ATOM 327 N LEU A 25 -24.475 4.317 -3.453 1.00 0.00 N ATOM 328 CA LEU A 25 -23.094 3.970 -3.140 1.00 0.00 C ATOM 329 C LEU A 25 -22.138 5.066 -3.601 1.00 0.00 C ATOM 330 O LEU A 25 -21.351 5.588 -2.814 1.00 0.00 O ATOM 331 CB LEU A 25 -22.720 2.641 -3.799 1.00 0.00 C ATOM 332 CG LEU A 25 -21.234 2.280 -3.787 1.00 0.00 C ATOM 333 CD1 LEU A 25 -20.769 1.982 -2.370 1.00 0.00 C ATOM 334 CD2 LEU A 25 -20.966 1.092 -4.699 1.00 0.00 C ATOM 0 H LEU A 25 -24.946 3.656 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 25 -23.007 3.870 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -23.271 1.844 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -23.059 2.664 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.669 3.134 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -19.709 1.727 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -20.925 2.860 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -21.340 1.145 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.904 0.849 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -21.541 0.232 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -21.261 1.342 -5.718 1.00 0.00 H new ATOM 346 N ASN A 26 -22.216 5.411 -4.883 1.00 0.00 N ATOM 347 CA ASN A 26 -21.359 6.446 -5.448 1.00 0.00 C ATOM 348 C ASN A 26 -21.465 7.739 -4.645 1.00 0.00 C ATOM 349 O ASN A 26 -20.455 8.318 -4.244 1.00 0.00 O ATOM 350 CB ASN A 26 -21.735 6.708 -6.908 1.00 0.00 C ATOM 351 CG ASN A 26 -20.637 7.424 -7.669 1.00 0.00 C ATOM 352 OD1 ASN A 26 -19.490 6.976 -7.695 1.00 0.00 O ATOM 353 ND2 ASN A 26 -20.983 8.544 -8.293 1.00 0.00 N ATOM 0 H ASN A 26 -22.863 4.989 -5.549 1.00 0.00 H new ATOM 0 HA ASN A 26 -20.328 6.094 -5.402 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -21.955 5.760 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -22.647 7.305 -6.944 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -20.286 9.070 -8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.945 8.878 -8.245 1.00 0.00 H new ATOM 360 N HIS A 27 -22.695 8.186 -4.412 1.00 0.00 N ATOM 361 CA HIS A 27 -22.934 9.409 -3.655 1.00 0.00 C ATOM 362 C HIS A 27 -22.294 9.326 -2.273 1.00 0.00 C ATOM 363 O HIS A 27 -21.733 10.304 -1.777 1.00 0.00 O ATOM 364 CB HIS A 27 -24.435 9.666 -3.521 1.00 0.00 C ATOM 365 CG HIS A 27 -24.768 11.062 -3.092 1.00 0.00 C ATOM 366 ND1 HIS A 27 -25.134 12.147 -3.814 1.00 0.00 N flip ATOM 367 CD2 HIS A 27 -24.742 11.471 -1.775 1.00 0.00 C flip ATOM 368 CE1 HIS A 27 -25.321 13.180 -2.930 1.00 0.00 C flip ATOM 369 NE2 HIS A 27 -25.079 12.747 -1.706 1.00 0.00 N flip ATOM 0 H HIS A 27 -23.542 7.719 -4.737 1.00 0.00 H new ATOM 0 HA HIS A 27 -22.479 10.238 -4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -24.917 9.464 -4.478 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -24.852 8.964 -2.800 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -24.486 10.846 -0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -25.618 14.185 -3.193 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -25.142 13.303 -0.853 1.00 0.00 H new ATOM 377 N HIS A 28 -22.383 8.153 -1.654 1.00 0.00 N ATOM 378 CA HIS A 28 -21.813 7.943 -0.328 1.00 0.00 C ATOM 379 C HIS A 28 -20.310 8.204 -0.335 1.00 0.00 C ATOM 380 O HIS A 28 -19.779 8.863 0.559 1.00 0.00 O ATOM 381 CB HIS A 28 -22.092 6.518 0.150 1.00 0.00 C ATOM 382 CG HIS A 28 -21.049 5.984 1.083 1.00 0.00 C ATOM 383 ND1 HIS A 28 -20.936 6.387 2.397 1.00 0.00 N ATOM 384 CD2 HIS A 28 -20.068 5.071 0.886 1.00 0.00 C ATOM 385 CE1 HIS A 28 -19.930 5.747 2.967 1.00 0.00 C ATOM 386 NE2 HIS A 28 -19.387 4.943 2.071 1.00 0.00 N ATOM 0 H HIS A 28 -22.844 7.334 -2.049 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.283 8.647 0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -23.061 6.494 0.649 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.164 5.860 -0.716 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.535 7.072 2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -19.860 4.542 -0.032 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -19.607 5.862 3.991 1.00 0.00 H new ATOM 394 N LYS A 29 -19.628 7.684 -1.350 1.00 0.00 N ATOM 395 CA LYS A 29 -18.186 7.860 -1.475 1.00 0.00 C ATOM 396 C LYS A 29 -17.846 9.295 -1.867 1.00 0.00 C ATOM 397 O LYS A 29 -16.881 9.873 -1.368 1.00 0.00 O ATOM 398 CB LYS A 29 -17.621 6.889 -2.514 1.00 0.00 C ATOM 399 CG LYS A 29 -17.986 5.438 -2.252 1.00 0.00 C ATOM 400 CD LYS A 29 -18.083 4.645 -3.544 1.00 0.00 C ATOM 401 CE LYS A 29 -16.719 4.146 -3.995 1.00 0.00 C ATOM 402 NZ LYS A 29 -15.947 5.204 -4.703 1.00 0.00 N ATOM 0 H LYS A 29 -20.052 7.136 -2.099 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.734 7.649 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.985 7.174 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.535 6.984 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.237 4.985 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.938 5.391 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -18.753 3.797 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -18.519 5.269 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.154 3.802 -3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.846 3.287 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.246 4.761 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.596 5.788 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.459 5.803 -4.006 1.00 0.00 H new ATOM 416 N LYS A 30 -18.645 9.864 -2.763 1.00 0.00 N ATOM 417 CA LYS A 30 -18.431 11.232 -3.221 1.00 0.00 C ATOM 418 C LYS A 30 -18.599 12.222 -2.072 1.00 0.00 C ATOM 419 O LYS A 30 -18.030 13.314 -2.094 1.00 0.00 O ATOM 420 CB LYS A 30 -19.408 11.573 -4.349 1.00 0.00 C ATOM 421 CG LYS A 30 -18.857 12.575 -5.348 1.00 0.00 C ATOM 422 CD LYS A 30 -19.184 14.003 -4.943 1.00 0.00 C ATOM 423 CE LYS A 30 -19.029 14.963 -6.112 1.00 0.00 C ATOM 424 NZ LYS A 30 -17.605 15.332 -6.342 1.00 0.00 N ATOM 0 H LYS A 30 -19.448 9.399 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 30 -17.411 11.308 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -19.676 10.657 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.325 11.971 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.776 12.456 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.272 12.372 -6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -20.205 14.050 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.528 14.311 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.436 14.506 -7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -19.611 15.864 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.542 15.987 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.224 15.792 -5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.053 14.475 -6.549 1.00 0.00 H new ATOM 438 N TYR A 31 -19.381 11.833 -1.072 1.00 0.00 N ATOM 439 CA TYR A 31 -19.623 12.688 0.085 1.00 0.00 C ATOM 440 C TYR A 31 -18.713 12.303 1.247 1.00 0.00 C ATOM 441 O TYR A 31 -17.820 13.060 1.627 1.00 0.00 O ATOM 442 CB TYR A 31 -21.088 12.593 0.517 1.00 0.00 C ATOM 443 CG TYR A 31 -21.994 13.568 -0.200 1.00 0.00 C ATOM 444 CD1 TYR A 31 -22.031 13.622 -1.588 1.00 0.00 C ATOM 445 CD2 TYR A 31 -22.816 14.435 0.511 1.00 0.00 C ATOM 446 CE1 TYR A 31 -22.857 14.511 -2.247 1.00 0.00 C ATOM 447 CE2 TYR A 31 -23.646 15.326 -0.140 1.00 0.00 C ATOM 448 CZ TYR A 31 -23.663 15.361 -1.519 1.00 0.00 C ATOM 449 OH TYR A 31 -24.489 16.248 -2.171 1.00 0.00 O ATOM 0 H TYR A 31 -19.858 10.932 -1.038 1.00 0.00 H new ATOM 0 HA TYR A 31 -19.401 13.716 -0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -21.446 11.579 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -21.154 12.770 1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -21.403 12.957 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -22.805 14.411 1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -22.872 14.541 -3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -24.279 15.992 0.428 1.00 0.00 H new ATOM 0 HH TYR A 31 -24.990 16.773 -1.512 1.00 0.00 H new ATOM 459 N GLN A 32 -18.946 11.120 1.806 1.00 0.00 N ATOM 460 CA GLN A 32 -18.147 10.633 2.925 1.00 0.00 C ATOM 461 C GLN A 32 -16.688 10.460 2.517 1.00 0.00 C ATOM 462 O GLN A 32 -15.785 10.995 3.161 1.00 0.00 O ATOM 463 CB GLN A 32 -18.706 9.305 3.439 1.00 0.00 C ATOM 464 CG GLN A 32 -20.065 9.436 4.109 1.00 0.00 C ATOM 465 CD GLN A 32 -19.964 9.916 5.543 1.00 0.00 C ATOM 466 OE1 GLN A 32 -19.468 11.010 5.811 1.00 0.00 O ATOM 467 NE2 GLN A 32 -20.436 9.097 6.476 1.00 0.00 N ATOM 0 H GLN A 32 -19.681 10.481 1.503 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.197 11.373 3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -18.787 8.607 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -18.000 8.873 4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -20.681 10.132 3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.571 8.471 4.088 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -20.839 8.199 6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -20.395 9.366 7.459 1.00 0.00 H new ATOM 476 N HIS A 33 -16.463 9.709 1.444 1.00 0.00 N ATOM 477 CA HIS A 33 -15.113 9.465 0.950 1.00 0.00 C ATOM 478 C HIS A 33 -14.670 10.580 0.007 1.00 0.00 C ATOM 479 O HIS A 33 -13.687 10.436 -0.720 1.00 0.00 O ATOM 480 CB HIS A 33 -15.045 8.117 0.232 1.00 0.00 C ATOM 481 CG HIS A 33 -15.294 6.946 1.132 1.00 0.00 C ATOM 482 ND1 HIS A 33 -14.447 6.594 2.162 1.00 0.00 N ATOM 483 CD2 HIS A 33 -16.304 6.046 1.154 1.00 0.00 C ATOM 484 CE1 HIS A 33 -14.924 5.527 2.776 1.00 0.00 C ATOM 485 NE2 HIS A 33 -16.051 5.174 2.185 1.00 0.00 N ATOM 0 H HIS A 33 -17.199 9.259 0.900 1.00 0.00 H new ATOM 0 HA HIS A 33 -14.438 9.446 1.805 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.778 8.107 -0.575 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -14.063 8.009 -0.228 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -13.586 7.082 2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.152 6.018 0.485 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -14.470 5.027 3.619 1.00 0.00 H new ATOM 493 N ILE A 34 -15.402 11.689 0.024 1.00 0.00 N ATOM 494 CA ILE A 34 -15.084 12.827 -0.829 1.00 0.00 C ATOM 495 C ILE A 34 -13.577 13.051 -0.907 1.00 0.00 C ATOM 496 O ILE A 34 -13.069 13.588 -1.893 1.00 0.00 O ATOM 497 CB ILE A 34 -15.758 14.116 -0.322 1.00 0.00 C ATOM 498 CG1 ILE A 34 -15.403 15.294 -1.232 1.00 0.00 C ATOM 499 CG2 ILE A 34 -15.340 14.403 1.112 1.00 0.00 C ATOM 500 CD1 ILE A 34 -16.062 15.227 -2.592 1.00 0.00 C ATOM 0 H ILE A 34 -16.219 11.823 0.619 1.00 0.00 H new ATOM 0 HA ILE A 34 -15.466 12.594 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 34 -16.839 13.977 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -15.695 16.223 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.321 15.329 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.824 15.317 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.638 13.572 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -14.258 14.526 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.765 16.093 -3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.751 14.316 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -17.145 15.223 -2.472 1.00 0.00 H new ATOM 512 N HIS A 35 -12.867 12.635 0.136 1.00 0.00 N ATOM 513 CA HIS A 35 -11.418 12.788 0.185 1.00 0.00 C ATOM 514 C HIS A 35 -10.729 11.427 0.226 1.00 0.00 C ATOM 515 O HIS A 35 -11.256 10.472 0.795 1.00 0.00 O ATOM 516 CB HIS A 35 -11.012 13.615 1.405 1.00 0.00 C ATOM 517 CG HIS A 35 -9.542 13.894 1.477 1.00 0.00 C ATOM 518 ND1 HIS A 35 -8.618 12.957 1.890 1.00 0.00 N ATOM 519 CD2 HIS A 35 -8.837 15.012 1.185 1.00 0.00 C ATOM 520 CE1 HIS A 35 -7.408 13.488 1.850 1.00 0.00 C ATOM 521 NE2 HIS A 35 -7.514 14.734 1.425 1.00 0.00 N ATOM 0 H HIS A 35 -13.272 12.189 0.959 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.102 13.309 -0.719 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -11.553 14.561 1.389 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -11.318 13.089 2.309 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.240 15.949 0.829 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.489 12.988 2.119 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.739 15.384 1.296 1.00 0.00 H new ATOM 529 N GLN A 36 -9.549 11.348 -0.381 1.00 0.00 N ATOM 530 CA GLN A 36 -8.790 10.104 -0.415 1.00 0.00 C ATOM 531 C GLN A 36 -7.586 10.175 0.519 1.00 0.00 C ATOM 532 O GLN A 36 -6.804 11.125 0.469 1.00 0.00 O ATOM 533 CB GLN A 36 -8.327 9.803 -1.841 1.00 0.00 C ATOM 534 CG GLN A 36 -9.464 9.459 -2.790 1.00 0.00 C ATOM 535 CD GLN A 36 -9.006 9.343 -4.231 1.00 0.00 C ATOM 536 OE1 GLN A 36 -9.098 8.276 -4.840 1.00 0.00 O ATOM 537 NE2 GLN A 36 -8.510 10.443 -4.785 1.00 0.00 N ATOM 0 H GLN A 36 -9.098 12.130 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.443 9.300 -0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.789 10.668 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.621 8.973 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.919 8.518 -2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.236 10.225 -2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.452 11.305 -4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.187 10.426 -5.752 1.00 0.00 H new ATOM 546 N LYS A 37 -7.443 9.165 1.370 1.00 0.00 N ATOM 547 CA LYS A 37 -6.334 9.112 2.315 1.00 0.00 C ATOM 548 C LYS A 37 -5.836 7.681 2.489 1.00 0.00 C ATOM 549 O LYS A 37 -6.470 6.732 2.027 1.00 0.00 O ATOM 550 CB LYS A 37 -6.764 9.681 3.669 1.00 0.00 C ATOM 551 CG LYS A 37 -7.903 8.914 4.318 1.00 0.00 C ATOM 552 CD LYS A 37 -8.420 9.626 5.557 1.00 0.00 C ATOM 553 CE LYS A 37 -9.365 10.761 5.193 1.00 0.00 C ATOM 554 NZ LYS A 37 -10.191 11.189 6.357 1.00 0.00 N ATOM 0 H LYS A 37 -8.082 8.372 1.425 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.519 9.716 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.907 9.681 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.066 10.720 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.715 8.792 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.563 7.914 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.937 8.913 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.580 10.020 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.789 11.610 4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.019 10.443 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.822 11.964 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.760 10.386 6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.568 11.516 7.123 1.00 0.00 H new ATOM 568 N SER A 38 -4.697 7.533 3.158 1.00 0.00 N ATOM 569 CA SER A 38 -4.112 6.217 3.390 1.00 0.00 C ATOM 570 C SER A 38 -3.692 5.569 2.074 1.00 0.00 C ATOM 571 O SER A 38 -3.895 4.373 1.865 1.00 0.00 O ATOM 572 CB SER A 38 -5.108 5.315 4.121 1.00 0.00 C ATOM 573 OG SER A 38 -4.497 4.102 4.524 1.00 0.00 O ATOM 0 H SER A 38 -4.161 8.308 3.549 1.00 0.00 H new ATOM 0 HA SER A 38 -3.225 6.345 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.501 5.835 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.955 5.100 3.469 1.00 0.00 H new ATOM 0 HG SER A 38 -4.050 3.690 3.755 1.00 0.00 H new ATOM 579 N PHE A 39 -3.105 6.368 1.189 1.00 0.00 N ATOM 580 CA PHE A 39 -2.657 5.875 -0.107 1.00 0.00 C ATOM 581 C PHE A 39 -1.577 4.809 0.060 1.00 0.00 C ATOM 582 O PHE A 39 -0.656 4.964 0.861 1.00 0.00 O ATOM 583 CB PHE A 39 -2.123 7.028 -0.959 1.00 0.00 C ATOM 584 CG PHE A 39 -3.201 7.799 -1.667 1.00 0.00 C ATOM 585 CD1 PHE A 39 -3.991 7.189 -2.628 1.00 0.00 C ATOM 586 CD2 PHE A 39 -3.424 9.134 -1.370 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.983 7.896 -3.280 1.00 0.00 C ATOM 588 CE2 PHE A 39 -4.415 9.846 -2.019 1.00 0.00 C ATOM 589 CZ PHE A 39 -5.195 9.226 -2.976 1.00 0.00 C ATOM 0 H PHE A 39 -2.929 7.360 1.346 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.512 5.425 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.559 7.709 -0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.426 6.631 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.830 6.149 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.817 9.624 -0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.592 7.409 -4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.579 10.886 -1.778 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.969 9.781 -3.485 1.00 0.00 H new ATOM 599 N SER A 40 -1.699 3.727 -0.702 1.00 0.00 N ATOM 600 CA SER A 40 -0.737 2.633 -0.636 1.00 0.00 C ATOM 601 C SER A 40 -0.219 2.280 -2.027 1.00 0.00 C ATOM 602 O SER A 40 -0.910 2.476 -3.028 1.00 0.00 O ATOM 603 CB SER A 40 -1.375 1.403 0.011 1.00 0.00 C ATOM 604 OG SER A 40 -0.388 0.536 0.542 1.00 0.00 O ATOM 0 H SER A 40 -2.454 3.584 -1.372 1.00 0.00 H new ATOM 0 HA SER A 40 0.105 2.959 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.053 1.716 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.973 0.869 -0.727 1.00 0.00 H new ATOM 0 HG SER A 40 -0.822 -0.242 0.951 1.00 0.00 H new ATOM 610 N CYS A 41 1.001 1.758 -2.083 1.00 0.00 N ATOM 611 CA CYS A 41 1.614 1.377 -3.349 1.00 0.00 C ATOM 612 C CYS A 41 1.030 0.064 -3.863 1.00 0.00 C ATOM 613 O CYS A 41 1.038 -0.958 -3.176 1.00 0.00 O ATOM 614 CB CYS A 41 3.130 1.245 -3.188 1.00 0.00 C ATOM 615 SG CYS A 41 4.024 0.984 -4.753 1.00 0.00 S ATOM 0 H CYS A 41 1.586 1.589 -1.264 1.00 0.00 H new ATOM 0 HA CYS A 41 1.400 2.160 -4.077 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.513 2.146 -2.709 1.00 0.00 H new ATOM 0 HB3 CYS A 41 3.342 0.412 -2.517 1.00 0.00 H new ATOM 620 N PRO A 42 0.512 0.090 -5.100 1.00 0.00 N ATOM 621 CA PRO A 42 -0.085 -1.089 -5.733 1.00 0.00 C ATOM 622 C PRO A 42 0.955 -2.146 -6.086 1.00 0.00 C ATOM 623 O PRO A 42 0.612 -3.259 -6.485 1.00 0.00 O ATOM 624 CB PRO A 42 -0.726 -0.523 -7.003 1.00 0.00 C ATOM 625 CG PRO A 42 0.056 0.708 -7.306 1.00 0.00 C ATOM 626 CD PRO A 42 0.469 1.274 -5.975 1.00 0.00 C ATOM 0 HA PRO A 42 -0.790 -1.594 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.674 -1.237 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.780 -0.294 -6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.927 0.476 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.545 1.425 -7.865 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.439 1.767 -6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.245 2.015 -5.614 1.00 0.00 H new ATOM 634 N GLU A 43 2.227 -1.791 -5.937 1.00 0.00 N ATOM 635 CA GLU A 43 3.317 -2.711 -6.241 1.00 0.00 C ATOM 636 C GLU A 43 3.509 -3.719 -5.112 1.00 0.00 C ATOM 637 O GLU A 43 3.626 -3.362 -3.940 1.00 0.00 O ATOM 638 CB GLU A 43 4.617 -1.938 -6.475 1.00 0.00 C ATOM 639 CG GLU A 43 5.807 -2.828 -6.790 1.00 0.00 C ATOM 640 CD GLU A 43 5.964 -3.087 -8.276 1.00 0.00 C ATOM 641 OE1 GLU A 43 4.938 -3.318 -8.949 1.00 0.00 O ATOM 642 OE2 GLU A 43 7.112 -3.059 -8.766 1.00 0.00 O ATOM 0 H GLU A 43 2.528 -0.874 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 43 3.057 -3.254 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.470 -1.238 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.842 -1.346 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.716 -2.362 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.693 -3.779 -6.269 1.00 0.00 H new ATOM 649 N PRO A 44 3.542 -5.011 -5.472 1.00 0.00 N ATOM 650 CA PRO A 44 3.720 -6.098 -4.505 1.00 0.00 C ATOM 651 C PRO A 44 5.126 -6.125 -3.915 1.00 0.00 C ATOM 652 O PRO A 44 5.297 -6.161 -2.697 1.00 0.00 O ATOM 653 CB PRO A 44 3.465 -7.358 -5.337 1.00 0.00 C ATOM 654 CG PRO A 44 3.788 -6.960 -6.735 1.00 0.00 C ATOM 655 CD PRO A 44 3.410 -5.509 -6.851 1.00 0.00 C ATOM 0 HA PRO A 44 3.054 -5.994 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.093 -8.185 -5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.430 -7.688 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.847 -7.105 -6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.233 -7.566 -7.451 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.069 -4.976 -7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.394 -5.387 -7.227 1.00 0.00 H new ATOM 663 N ALA A 45 6.129 -6.108 -4.786 1.00 0.00 N ATOM 664 CA ALA A 45 7.520 -6.128 -4.350 1.00 0.00 C ATOM 665 C ALA A 45 7.816 -4.966 -3.408 1.00 0.00 C ATOM 666 O ALA A 45 8.384 -5.156 -2.332 1.00 0.00 O ATOM 667 CB ALA A 45 8.450 -6.085 -5.553 1.00 0.00 C ATOM 0 H ALA A 45 6.005 -6.080 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 45 7.692 -7.056 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.486 -6.100 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.264 -6.951 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.268 -5.173 -6.121 1.00 0.00 H new ATOM 673 N CYS A 46 7.429 -3.763 -3.819 1.00 0.00 N ATOM 674 CA CYS A 46 7.655 -2.570 -3.013 1.00 0.00 C ATOM 675 C CYS A 46 6.763 -2.574 -1.774 1.00 0.00 C ATOM 676 O CYS A 46 7.248 -2.494 -0.647 1.00 0.00 O ATOM 677 CB CYS A 46 7.390 -1.311 -3.841 1.00 0.00 C ATOM 678 SG CYS A 46 7.238 0.211 -2.853 1.00 0.00 S ATOM 0 H CYS A 46 6.957 -3.589 -4.706 1.00 0.00 H new ATOM 0 HA CYS A 46 8.696 -2.572 -2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.199 -1.185 -4.560 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.474 -1.452 -4.414 1.00 0.00 H new ATOM 683 N GLY A 47 5.455 -2.667 -1.994 1.00 0.00 N ATOM 684 CA GLY A 47 4.516 -2.680 -0.887 1.00 0.00 C ATOM 685 C GLY A 47 4.937 -1.759 0.240 1.00 0.00 C ATOM 686 O GLY A 47 5.240 -2.213 1.344 1.00 0.00 O ATOM 0 H GLY A 47 5.029 -2.734 -2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.531 -2.383 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.423 -3.697 -0.506 1.00 0.00 H new ATOM 690 N LYS A 48 4.957 -0.459 -0.036 1.00 0.00 N ATOM 691 CA LYS A 48 5.344 0.530 0.963 1.00 0.00 C ATOM 692 C LYS A 48 4.216 1.527 1.207 1.00 0.00 C ATOM 693 O LYS A 48 3.810 2.254 0.301 1.00 0.00 O ATOM 694 CB LYS A 48 6.605 1.271 0.515 1.00 0.00 C ATOM 695 CG LYS A 48 7.887 0.491 0.754 1.00 0.00 C ATOM 696 CD LYS A 48 9.085 1.180 0.124 1.00 0.00 C ATOM 697 CE LYS A 48 10.301 0.267 0.093 1.00 0.00 C ATOM 698 NZ LYS A 48 10.905 0.103 1.444 1.00 0.00 N ATOM 0 H LYS A 48 4.709 -0.066 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 48 5.550 0.006 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.523 1.502 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.664 2.222 1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.052 0.380 1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.785 -0.513 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.836 1.490 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.322 2.084 0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.013 -0.709 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.045 0.676 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.731 -0.526 1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.203 1.031 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.203 -0.311 2.090 1.00 0.00 H new ATOM 712 N SER A 49 3.714 1.557 2.438 1.00 0.00 N ATOM 713 CA SER A 49 2.631 2.463 2.801 1.00 0.00 C ATOM 714 C SER A 49 3.181 3.766 3.372 1.00 0.00 C ATOM 715 O SER A 49 4.253 3.788 3.979 1.00 0.00 O ATOM 716 CB SER A 49 1.701 1.799 3.818 1.00 0.00 C ATOM 717 OG SER A 49 1.186 0.578 3.317 1.00 0.00 O ATOM 0 H SER A 49 4.041 0.964 3.201 1.00 0.00 H new ATOM 0 HA SER A 49 2.065 2.693 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.243 1.615 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.879 2.473 4.058 1.00 0.00 H new ATOM 0 HG SER A 49 0.733 0.740 2.463 1.00 0.00 H new ATOM 723 N PHE A 50 2.440 4.851 3.174 1.00 0.00 N ATOM 724 CA PHE A 50 2.854 6.160 3.668 1.00 0.00 C ATOM 725 C PHE A 50 1.669 6.914 4.265 1.00 0.00 C ATOM 726 O PHE A 50 0.577 6.924 3.699 1.00 0.00 O ATOM 727 CB PHE A 50 3.479 6.981 2.539 1.00 0.00 C ATOM 728 CG PHE A 50 4.439 6.198 1.690 1.00 0.00 C ATOM 729 CD1 PHE A 50 5.697 5.868 2.168 1.00 0.00 C ATOM 730 CD2 PHE A 50 4.084 5.792 0.413 1.00 0.00 C ATOM 731 CE1 PHE A 50 6.583 5.148 1.388 1.00 0.00 C ATOM 732 CE2 PHE A 50 4.966 5.072 -0.371 1.00 0.00 C ATOM 733 CZ PHE A 50 6.216 4.749 0.118 1.00 0.00 C ATOM 0 H PHE A 50 1.550 4.850 2.675 1.00 0.00 H new ATOM 0 HA PHE A 50 3.598 6.007 4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.685 7.376 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.000 7.837 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.989 6.177 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.107 6.041 0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.561 4.898 1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.678 4.763 -1.365 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.906 4.185 -0.492 1.00 0.00 H new ATOM 743 N ASN A 51 1.895 7.546 5.413 1.00 0.00 N ATOM 744 CA ASN A 51 0.847 8.303 6.088 1.00 0.00 C ATOM 745 C ASN A 51 0.393 9.483 5.235 1.00 0.00 C ATOM 746 O ASN A 51 -0.804 9.710 5.057 1.00 0.00 O ATOM 747 CB ASN A 51 1.344 8.802 7.446 1.00 0.00 C ATOM 748 CG ASN A 51 1.634 7.667 8.409 1.00 0.00 C ATOM 749 OD1 ASN A 51 0.767 6.838 8.688 1.00 0.00 O ATOM 750 ND2 ASN A 51 2.858 7.624 8.922 1.00 0.00 N ATOM 0 H ASN A 51 2.794 7.549 5.895 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.004 7.640 6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.248 9.394 7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.596 9.463 7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.111 6.883 9.575 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.545 8.332 8.663 1.00 0.00 H new ATOM 757 N PHE A 52 1.357 10.232 4.709 1.00 0.00 N ATOM 758 CA PHE A 52 1.057 11.389 3.874 1.00 0.00 C ATOM 759 C PHE A 52 0.679 10.957 2.460 1.00 0.00 C ATOM 760 O PHE A 52 1.111 9.907 1.983 1.00 0.00 O ATOM 761 CB PHE A 52 2.258 12.336 3.827 1.00 0.00 C ATOM 762 CG PHE A 52 2.653 12.869 5.174 1.00 0.00 C ATOM 763 CD1 PHE A 52 3.451 12.120 6.023 1.00 0.00 C ATOM 764 CD2 PHE A 52 2.228 14.120 5.591 1.00 0.00 C ATOM 765 CE1 PHE A 52 3.816 12.608 7.264 1.00 0.00 C ATOM 766 CE2 PHE A 52 2.590 14.614 6.830 1.00 0.00 C ATOM 767 CZ PHE A 52 3.386 13.858 7.667 1.00 0.00 C ATOM 0 H PHE A 52 2.353 10.058 4.846 1.00 0.00 H new ATOM 0 HA PHE A 52 0.208 11.912 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.107 11.812 3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.026 13.172 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.792 11.144 5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.606 14.716 4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.436 12.013 7.918 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.251 15.590 7.143 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.672 14.243 8.635 1.00 0.00 H new ATOM 777 N LYS A 53 -0.129 11.774 1.794 1.00 0.00 N ATOM 778 CA LYS A 53 -0.565 11.479 0.434 1.00 0.00 C ATOM 779 C LYS A 53 0.413 12.051 -0.587 1.00 0.00 C ATOM 780 O LYS A 53 0.466 11.601 -1.732 1.00 0.00 O ATOM 781 CB LYS A 53 -1.964 12.049 0.191 1.00 0.00 C ATOM 782 CG LYS A 53 -1.979 13.551 -0.035 1.00 0.00 C ATOM 783 CD LYS A 53 -2.327 14.303 1.239 1.00 0.00 C ATOM 784 CE LYS A 53 -3.827 14.311 1.489 1.00 0.00 C ATOM 785 NZ LYS A 53 -4.161 14.828 2.845 1.00 0.00 N ATOM 0 H LYS A 53 -0.496 12.647 2.174 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.595 10.396 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.403 11.555 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.597 11.813 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.003 13.875 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.703 13.796 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.818 13.842 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.963 15.328 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.317 14.926 0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.219 13.300 1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.193 14.817 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.714 14.226 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.810 15.802 2.941 1.00 0.00 H new ATOM 799 N LYS A 54 1.188 13.045 -0.166 1.00 0.00 N ATOM 800 CA LYS A 54 2.167 13.677 -1.042 1.00 0.00 C ATOM 801 C LYS A 54 3.452 12.858 -1.101 1.00 0.00 C ATOM 802 O LYS A 54 4.151 12.855 -2.115 1.00 0.00 O ATOM 803 CB LYS A 54 2.475 15.096 -0.557 1.00 0.00 C ATOM 804 CG LYS A 54 3.268 15.137 0.738 1.00 0.00 C ATOM 805 CD LYS A 54 4.764 15.128 0.475 1.00 0.00 C ATOM 806 CE LYS A 54 5.306 16.537 0.290 1.00 0.00 C ATOM 807 NZ LYS A 54 6.793 16.573 0.360 1.00 0.00 N ATOM 0 H LYS A 54 1.157 13.431 0.778 1.00 0.00 H new ATOM 0 HA LYS A 54 1.742 13.727 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.032 15.623 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.538 15.635 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.002 16.032 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.001 14.280 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.278 14.646 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.974 14.536 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.978 16.929 -0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.890 17.190 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.123 17.551 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.105 16.223 1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.190 15.970 -0.389 1.00 0.00 H new ATOM 821 N HIS A 55 3.758 12.164 -0.009 1.00 0.00 N ATOM 822 CA HIS A 55 4.959 11.340 0.061 1.00 0.00 C ATOM 823 C HIS A 55 4.909 10.219 -0.972 1.00 0.00 C ATOM 824 O HIS A 55 5.900 9.941 -1.650 1.00 0.00 O ATOM 825 CB HIS A 55 5.116 10.750 1.463 1.00 0.00 C ATOM 826 CG HIS A 55 5.815 11.664 2.422 1.00 0.00 C ATOM 827 ND1 HIS A 55 5.411 12.822 2.996 1.00 0.00 N flip ATOM 828 CD2 HIS A 55 7.089 11.429 2.894 1.00 0.00 C flip ATOM 829 CE1 HIS A 55 6.437 13.259 3.798 1.00 0.00 C flip ATOM 830 NE2 HIS A 55 7.437 12.400 3.719 1.00 0.00 N flip ATOM 0 H HIS A 55 3.191 12.156 0.839 1.00 0.00 H new ATOM 0 HA HIS A 55 5.819 11.974 -0.157 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.130 10.507 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.671 9.815 1.395 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.706 10.583 2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.427 14.158 4.396 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.327 12.474 4.212 1.00 0.00 H new ATOM 838 N LEU A 56 3.752 9.577 -1.087 1.00 0.00 N ATOM 839 CA LEU A 56 3.574 8.485 -2.037 1.00 0.00 C ATOM 840 C LEU A 56 3.679 8.989 -3.473 1.00 0.00 C ATOM 841 O LEU A 56 4.300 8.351 -4.323 1.00 0.00 O ATOM 842 CB LEU A 56 2.218 7.810 -1.821 1.00 0.00 C ATOM 843 CG LEU A 56 2.153 6.316 -2.141 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.129 5.624 -1.256 1.00 0.00 C ATOM 845 CD2 LEU A 56 1.823 6.100 -3.611 1.00 0.00 C ATOM 0 H LEU A 56 2.923 9.794 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 56 4.367 7.757 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.926 7.951 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.477 8.325 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 56 3.131 5.878 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.097 4.562 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.408 5.749 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.146 6.064 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.781 5.031 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.858 6.553 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.594 6.561 -4.229 1.00 0.00 H new ATOM 857 N LYS A 57 3.071 10.141 -3.736 1.00 0.00 N ATOM 858 CA LYS A 57 3.099 10.735 -5.067 1.00 0.00 C ATOM 859 C LYS A 57 4.517 10.744 -5.629 1.00 0.00 C ATOM 860 O LYS A 57 4.775 10.187 -6.696 1.00 0.00 O ATOM 861 CB LYS A 57 2.547 12.162 -5.023 1.00 0.00 C ATOM 862 CG LYS A 57 2.380 12.792 -6.395 1.00 0.00 C ATOM 863 CD LYS A 57 1.798 14.192 -6.298 1.00 0.00 C ATOM 864 CE LYS A 57 2.016 14.977 -7.583 1.00 0.00 C ATOM 865 NZ LYS A 57 1.727 16.426 -7.404 1.00 0.00 N ATOM 0 H LYS A 57 2.552 10.682 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 57 2.472 10.129 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.582 12.154 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.215 12.783 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.346 12.833 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.728 12.168 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.731 14.130 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.259 14.722 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.046 14.851 -7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.376 14.573 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.887 16.926 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.737 16.549 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.355 16.818 -6.673 1.00 0.00 H new ATOM 879 N GLU A 58 5.432 11.379 -4.904 1.00 0.00 N ATOM 880 CA GLU A 58 6.824 11.459 -5.332 1.00 0.00 C ATOM 881 C GLU A 58 7.461 10.073 -5.373 1.00 0.00 C ATOM 882 O GLU A 58 8.246 9.765 -6.271 1.00 0.00 O ATOM 883 CB GLU A 58 7.618 12.370 -4.392 1.00 0.00 C ATOM 884 CG GLU A 58 7.176 13.823 -4.435 1.00 0.00 C ATOM 885 CD GLU A 58 7.376 14.453 -5.800 1.00 0.00 C ATOM 886 OE1 GLU A 58 8.522 14.836 -6.115 1.00 0.00 O ATOM 887 OE2 GLU A 58 6.386 14.563 -6.553 1.00 0.00 O ATOM 0 H GLU A 58 5.235 11.845 -4.018 1.00 0.00 H new ATOM 0 HA GLU A 58 6.845 11.879 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.520 11.999 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.675 12.313 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.123 13.887 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.735 14.391 -3.691 1.00 0.00 H new ATOM 894 N HIS A 59 7.118 9.242 -4.394 1.00 0.00 N ATOM 895 CA HIS A 59 7.656 7.888 -4.318 1.00 0.00 C ATOM 896 C HIS A 59 7.491 7.162 -5.650 1.00 0.00 C ATOM 897 O HIS A 59 8.445 6.594 -6.181 1.00 0.00 O ATOM 898 CB HIS A 59 6.961 7.102 -3.206 1.00 0.00 C ATOM 899 CG HIS A 59 6.972 5.620 -3.423 1.00 0.00 C ATOM 900 ND1 HIS A 59 7.991 4.802 -2.984 1.00 0.00 N ATOM 901 CD2 HIS A 59 6.079 4.809 -4.036 1.00 0.00 C ATOM 902 CE1 HIS A 59 7.726 3.552 -3.318 1.00 0.00 C ATOM 903 NE2 HIS A 59 6.570 3.529 -3.958 1.00 0.00 N ATOM 0 H HIS A 59 6.471 9.482 -3.643 1.00 0.00 H new ATOM 0 HA HIS A 59 8.720 7.959 -4.092 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.447 7.325 -2.256 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.928 7.441 -3.123 1.00 0.00 H new ATOM 0 HD1 HIS A 59 8.821 5.114 -2.480 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.152 5.112 -4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.348 2.695 -3.105 1.00 0.00 H new ATOM 911 N MET A 60 6.274 7.185 -6.184 1.00 0.00 N ATOM 912 CA MET A 60 5.985 6.529 -7.454 1.00 0.00 C ATOM 913 C MET A 60 6.982 6.958 -8.527 1.00 0.00 C ATOM 914 O MET A 60 7.460 6.136 -9.309 1.00 0.00 O ATOM 915 CB MET A 60 4.560 6.852 -7.907 1.00 0.00 C ATOM 916 CG MET A 60 3.489 6.328 -6.964 1.00 0.00 C ATOM 917 SD MET A 60 1.827 6.488 -7.644 1.00 0.00 S ATOM 918 CE MET A 60 1.418 4.771 -7.946 1.00 0.00 C ATOM 0 H MET A 60 5.473 7.650 -5.757 1.00 0.00 H new ATOM 0 HA MET A 60 6.077 5.453 -7.307 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.453 7.933 -8.000 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.398 6.429 -8.898 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.687 5.279 -6.742 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.545 6.870 -6.020 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.415 4.705 -8.369 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.136 4.344 -8.646 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.453 4.218 -7.007 1.00 0.00 H new ATOM 928 N LYS A 61 7.291 8.249 -8.558 1.00 0.00 N ATOM 929 CA LYS A 61 8.231 8.788 -9.533 1.00 0.00 C ATOM 930 C LYS A 61 9.488 7.927 -9.611 1.00 0.00 C ATOM 931 O LYS A 61 10.103 7.802 -10.671 1.00 0.00 O ATOM 932 CB LYS A 61 8.608 10.226 -9.169 1.00 0.00 C ATOM 933 CG LYS A 61 7.410 11.148 -9.015 1.00 0.00 C ATOM 934 CD LYS A 61 7.821 12.511 -8.484 1.00 0.00 C ATOM 935 CE LYS A 61 8.635 13.286 -9.508 1.00 0.00 C ATOM 936 NZ LYS A 61 9.144 14.572 -8.954 1.00 0.00 N ATOM 0 H LYS A 61 6.904 8.943 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 61 7.746 8.782 -10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.173 10.220 -8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.267 10.626 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.914 11.266 -9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.686 10.696 -8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.932 13.082 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.405 12.386 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.475 12.676 -9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.019 13.487 -10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.720 15.366 -9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.889 14.642 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.179 14.607 -9.052 1.00 0.00 H new ATOM 950 N LEU A 62 9.863 7.333 -8.484 1.00 0.00 N ATOM 951 CA LEU A 62 11.046 6.482 -8.425 1.00 0.00 C ATOM 952 C LEU A 62 10.815 5.176 -9.178 1.00 0.00 C ATOM 953 O LEU A 62 11.723 4.650 -9.824 1.00 0.00 O ATOM 954 CB LEU A 62 11.414 6.186 -6.970 1.00 0.00 C ATOM 955 CG LEU A 62 10.736 4.969 -6.340 1.00 0.00 C ATOM 956 CD1 LEU A 62 11.476 3.694 -6.711 1.00 0.00 C ATOM 957 CD2 LEU A 62 10.660 5.124 -4.828 1.00 0.00 C ATOM 0 H LEU A 62 9.365 7.425 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 62 11.870 7.014 -8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.493 6.047 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.172 7.063 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 62 9.720 4.901 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.979 2.839 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.477 3.576 -7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.503 3.752 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.175 4.249 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.667 5.218 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.084 6.016 -4.582 1.00 0.00 H new ATOM 969 N HIS A 63 9.594 4.658 -9.093 1.00 0.00 N ATOM 970 CA HIS A 63 9.243 3.414 -9.769 1.00 0.00 C ATOM 971 C HIS A 63 9.421 3.547 -11.279 1.00 0.00 C ATOM 972 O HIS A 63 9.802 2.592 -11.955 1.00 0.00 O ATOM 973 CB HIS A 63 7.800 3.024 -9.447 1.00 0.00 C ATOM 974 CG HIS A 63 7.664 2.214 -8.195 1.00 0.00 C ATOM 975 ND1 HIS A 63 8.282 0.995 -8.016 1.00 0.00 N ATOM 976 CD2 HIS A 63 6.976 2.457 -7.054 1.00 0.00 C ATOM 977 CE1 HIS A 63 7.979 0.522 -6.820 1.00 0.00 C ATOM 978 NE2 HIS A 63 7.188 1.390 -6.216 1.00 0.00 N ATOM 0 H HIS A 63 8.831 5.080 -8.563 1.00 0.00 H new ATOM 0 HA HIS A 63 9.912 2.632 -9.409 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.200 3.929 -9.351 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.390 2.457 -10.283 1.00 0.00 H new ATOM 0 HD1 HIS A 63 8.880 0.531 -8.700 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.373 3.328 -6.843 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.320 -0.416 -6.407 1.00 0.00 H new ATOM 986 N SER A 64 9.143 4.738 -11.800 1.00 0.00 N ATOM 987 CA SER A 64 9.269 4.995 -13.230 1.00 0.00 C ATOM 988 C SER A 64 10.734 5.004 -13.654 1.00 0.00 C ATOM 989 O SER A 64 11.634 5.073 -12.816 1.00 0.00 O ATOM 990 CB SER A 64 8.614 6.330 -13.589 1.00 0.00 C ATOM 991 OG SER A 64 8.422 6.443 -14.989 1.00 0.00 O ATOM 0 H SER A 64 8.829 5.540 -11.253 1.00 0.00 H new ATOM 0 HA SER A 64 8.760 4.193 -13.764 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.655 6.417 -13.079 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.238 7.151 -13.237 1.00 0.00 H new ATOM 0 HG SER A 64 8.000 7.304 -15.193 1.00 0.00 H new ATOM 997 N ASP A 65 10.966 4.934 -14.960 1.00 0.00 N ATOM 998 CA ASP A 65 12.322 4.936 -15.497 1.00 0.00 C ATOM 999 C ASP A 65 12.801 6.360 -15.760 1.00 0.00 C ATOM 1000 O ASP A 65 12.005 7.247 -16.071 1.00 0.00 O ATOM 1001 CB ASP A 65 12.384 4.117 -16.787 1.00 0.00 C ATOM 1002 CG ASP A 65 11.522 2.871 -16.723 1.00 0.00 C ATOM 1003 OD1 ASP A 65 11.301 2.359 -15.606 1.00 0.00 O ATOM 1004 OD2 ASP A 65 11.069 2.408 -17.791 1.00 0.00 O ATOM 0 H ASP A 65 10.233 4.875 -15.667 1.00 0.00 H new ATOM 0 HA ASP A 65 12.980 4.482 -14.756 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.061 4.737 -17.623 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.417 3.831 -16.983 1.00 0.00 H new ATOM 1009 N THR A 66 14.107 6.574 -15.633 1.00 0.00 N ATOM 1010 CA THR A 66 14.692 7.890 -15.855 1.00 0.00 C ATOM 1011 C THR A 66 14.856 8.175 -17.343 1.00 0.00 C ATOM 1012 O THR A 66 15.370 7.342 -18.091 1.00 0.00 O ATOM 1013 CB THR A 66 16.062 8.020 -15.164 1.00 0.00 C ATOM 1014 OG1 THR A 66 15.960 7.620 -13.793 1.00 0.00 O ATOM 1015 CG2 THR A 66 16.575 9.449 -15.244 1.00 0.00 C ATOM 0 H THR A 66 14.780 5.852 -15.377 1.00 0.00 H new ATOM 0 HA THR A 66 14.005 8.618 -15.423 1.00 0.00 H new ATOM 0 HB THR A 66 16.767 7.368 -15.680 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.836 7.704 -13.362 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.544 9.516 -14.749 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.680 9.740 -16.289 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.869 10.117 -14.751 1.00 0.00 H new ATOM 1023 N ARG A 67 14.418 9.355 -17.767 1.00 0.00 N ATOM 1024 CA ARG A 67 14.516 9.749 -19.167 1.00 0.00 C ATOM 1025 C ARG A 67 15.958 9.656 -19.658 1.00 0.00 C ATOM 1026 O ARG A 67 16.218 9.185 -20.766 1.00 0.00 O ATOM 1027 CB ARG A 67 13.993 11.174 -19.356 1.00 0.00 C ATOM 1028 CG ARG A 67 14.115 11.684 -20.783 1.00 0.00 C ATOM 1029 CD ARG A 67 13.346 12.980 -20.980 1.00 0.00 C ATOM 1030 NE ARG A 67 11.906 12.791 -20.824 1.00 0.00 N ATOM 1031 CZ ARG A 67 10.996 13.587 -21.375 1.00 0.00 C ATOM 1032 NH1 ARG A 67 11.375 14.620 -22.114 1.00 0.00 N ATOM 1033 NH2 ARG A 67 9.704 13.350 -21.187 1.00 0.00 N ATOM 0 H ARG A 67 13.991 10.056 -17.161 1.00 0.00 H new ATOM 0 HA ARG A 67 13.905 9.064 -19.755 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.946 11.211 -19.054 1.00 0.00 H new ATOM 0 HB3 ARG A 67 14.540 11.844 -18.692 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.166 11.843 -21.025 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.740 10.929 -21.474 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.694 13.721 -20.261 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.554 13.378 -21.973 1.00 0.00 H new ATOM 0 HE ARG A 67 11.581 12.005 -20.261 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.367 14.805 -22.261 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.674 15.230 -22.536 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.409 12.556 -20.619 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.006 13.962 -21.611 1.00 0.00 H new ATOM 1047 N ASP A 68 16.891 10.108 -18.827 1.00 0.00 N ATOM 1048 CA ASP A 68 18.306 10.075 -19.176 1.00 0.00 C ATOM 1049 C ASP A 68 18.576 10.898 -20.432 1.00 0.00 C ATOM 1050 O ASP A 68 19.289 10.457 -21.334 1.00 0.00 O ATOM 1051 CB ASP A 68 18.767 8.632 -19.388 1.00 0.00 C ATOM 1052 CG ASP A 68 19.077 7.925 -18.083 1.00 0.00 C ATOM 1053 OD1 ASP A 68 20.064 8.308 -17.420 1.00 0.00 O ATOM 1054 OD2 ASP A 68 18.331 6.990 -17.724 1.00 0.00 O ATOM 0 H ASP A 68 16.693 10.501 -17.907 1.00 0.00 H new ATOM 0 HA ASP A 68 18.869 10.511 -18.350 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.992 8.081 -19.921 1.00 0.00 H new ATOM 0 HB3 ASP A 68 19.655 8.627 -20.020 1.00 0.00 H new ATOM 1059 N TYR A 69 18.000 12.094 -20.484 1.00 0.00 N ATOM 1060 CA TYR A 69 18.175 12.977 -21.630 1.00 0.00 C ATOM 1061 C TYR A 69 17.909 14.429 -21.245 1.00 0.00 C ATOM 1062 O TYR A 69 16.929 14.733 -20.565 1.00 0.00 O ATOM 1063 CB TYR A 69 17.242 12.561 -22.769 1.00 0.00 C ATOM 1064 CG TYR A 69 17.470 13.330 -24.050 1.00 0.00 C ATOM 1065 CD1 TYR A 69 17.091 14.663 -24.160 1.00 0.00 C ATOM 1066 CD2 TYR A 69 18.062 12.725 -25.152 1.00 0.00 C ATOM 1067 CE1 TYR A 69 17.296 15.370 -25.328 1.00 0.00 C ATOM 1068 CE2 TYR A 69 18.272 13.425 -26.324 1.00 0.00 C ATOM 1069 CZ TYR A 69 17.887 14.747 -26.408 1.00 0.00 C ATOM 1070 OH TYR A 69 18.093 15.447 -27.574 1.00 0.00 O ATOM 0 H TYR A 69 17.408 12.474 -19.745 1.00 0.00 H new ATOM 0 HA TYR A 69 19.208 12.892 -21.966 1.00 0.00 H new ATOM 0 HB2 TYR A 69 17.374 11.497 -22.965 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.209 12.700 -22.450 1.00 0.00 H new ATOM 0 HD1 TYR A 69 16.628 15.154 -23.317 1.00 0.00 H new ATOM 0 HD2 TYR A 69 18.363 11.690 -25.091 1.00 0.00 H new ATOM 0 HE1 TYR A 69 16.995 16.405 -25.396 1.00 0.00 H new ATOM 0 HE2 TYR A 69 18.735 12.940 -27.170 1.00 0.00 H new ATOM 0 HH TYR A 69 18.520 14.863 -28.235 1.00 0.00 H new ATOM 1080 N ILE A 70 18.789 15.322 -21.686 1.00 0.00 N ATOM 1081 CA ILE A 70 18.649 16.742 -21.390 1.00 0.00 C ATOM 1082 C ILE A 70 19.362 17.595 -22.434 1.00 0.00 C ATOM 1083 O ILE A 70 20.336 17.157 -23.047 1.00 0.00 O ATOM 1084 CB ILE A 70 19.208 17.084 -19.996 1.00 0.00 C ATOM 1085 CG1 ILE A 70 18.985 18.565 -19.682 1.00 0.00 C ATOM 1086 CG2 ILE A 70 20.687 16.738 -19.919 1.00 0.00 C ATOM 1087 CD1 ILE A 70 19.226 18.918 -18.231 1.00 0.00 C ATOM 0 H ILE A 70 19.606 15.087 -22.249 1.00 0.00 H new ATOM 0 HA ILE A 70 17.582 16.964 -21.410 1.00 0.00 H new ATOM 0 HB ILE A 70 18.677 16.490 -19.252 1.00 0.00 H new ATOM 0 HG12 ILE A 70 19.646 19.164 -20.308 1.00 0.00 H new ATOM 0 HG13 ILE A 70 17.963 18.835 -19.948 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.067 16.985 -18.928 1.00 0.00 H new ATOM 0 HG22 ILE A 70 20.821 15.672 -20.104 1.00 0.00 H new ATOM 0 HG23 ILE A 70 21.234 17.308 -20.670 1.00 0.00 H new ATOM 0 HD11 ILE A 70 19.049 19.983 -18.081 1.00 0.00 H new ATOM 0 HD12 ILE A 70 18.547 18.345 -17.600 1.00 0.00 H new ATOM 0 HD13 ILE A 70 20.256 18.680 -17.965 1.00 0.00 H new ATOM 1099 N CYS A 71 18.871 18.813 -22.630 1.00 0.00 N ATOM 1100 CA CYS A 71 19.461 19.728 -23.600 1.00 0.00 C ATOM 1101 C CYS A 71 20.982 19.732 -23.489 1.00 0.00 C ATOM 1102 O CYS A 71 21.687 19.528 -24.477 1.00 0.00 O ATOM 1103 CB CYS A 71 18.919 21.144 -23.393 1.00 0.00 C ATOM 1104 SG CYS A 71 17.206 21.364 -23.927 1.00 0.00 S ATOM 0 H CYS A 71 18.066 19.190 -22.130 1.00 0.00 H new ATOM 0 HA CYS A 71 19.188 19.385 -24.598 1.00 0.00 H new ATOM 0 HB2 CYS A 71 18.994 21.399 -22.336 1.00 0.00 H new ATOM 0 HB3 CYS A 71 19.551 21.846 -23.937 1.00 0.00 H new ATOM 0 HG CYS A 71 16.838 22.592 -23.710 1.00 0.00 H new ATOM 1110 N GLU A 72 21.481 19.966 -22.279 1.00 0.00 N ATOM 1111 CA GLU A 72 22.919 19.999 -22.040 1.00 0.00 C ATOM 1112 C GLU A 72 23.580 21.115 -22.844 1.00 0.00 C ATOM 1113 O GLU A 72 24.651 20.928 -23.422 1.00 0.00 O ATOM 1114 CB GLU A 72 23.549 18.652 -22.402 1.00 0.00 C ATOM 1115 CG GLU A 72 24.952 18.468 -21.847 1.00 0.00 C ATOM 1116 CD GLU A 72 25.514 17.088 -22.131 1.00 0.00 C ATOM 1117 OE1 GLU A 72 25.945 16.848 -23.278 1.00 0.00 O ATOM 1118 OE2 GLU A 72 25.524 16.249 -21.206 1.00 0.00 O ATOM 0 H GLU A 72 20.911 20.135 -21.450 1.00 0.00 H new ATOM 0 HA GLU A 72 23.081 20.195 -20.980 1.00 0.00 H new ATOM 0 HB2 GLU A 72 22.912 17.850 -22.029 1.00 0.00 H new ATOM 0 HB3 GLU A 72 23.581 18.555 -23.487 1.00 0.00 H new ATOM 0 HG2 GLU A 72 25.611 19.221 -22.279 1.00 0.00 H new ATOM 0 HG3 GLU A 72 24.938 18.636 -20.770 1.00 0.00 H new ATOM 1125 N PHE A 73 22.932 22.274 -22.878 1.00 0.00 N ATOM 1126 CA PHE A 73 23.455 23.421 -23.613 1.00 0.00 C ATOM 1127 C PHE A 73 24.806 23.855 -23.053 1.00 0.00 C ATOM 1128 O PHE A 73 24.971 23.999 -21.842 1.00 0.00 O ATOM 1129 CB PHE A 73 22.466 24.586 -23.552 1.00 0.00 C ATOM 1130 CG PHE A 73 22.780 25.691 -24.520 1.00 0.00 C ATOM 1131 CD1 PHE A 73 23.870 26.521 -24.314 1.00 0.00 C ATOM 1132 CD2 PHE A 73 21.986 25.898 -25.637 1.00 0.00 C ATOM 1133 CE1 PHE A 73 24.161 27.538 -25.204 1.00 0.00 C ATOM 1134 CE2 PHE A 73 22.272 26.913 -26.530 1.00 0.00 C ATOM 1135 CZ PHE A 73 23.362 27.734 -26.313 1.00 0.00 C ATOM 0 H PHE A 73 22.044 22.445 -22.406 1.00 0.00 H new ATOM 0 HA PHE A 73 23.591 23.124 -24.653 1.00 0.00 H new ATOM 0 HB2 PHE A 73 21.463 24.211 -23.754 1.00 0.00 H new ATOM 0 HB3 PHE A 73 22.457 24.992 -22.540 1.00 0.00 H new ATOM 0 HD1 PHE A 73 24.499 26.372 -23.449 1.00 0.00 H new ATOM 0 HD2 PHE A 73 21.134 25.258 -25.812 1.00 0.00 H new ATOM 0 HE1 PHE A 73 25.013 28.179 -25.032 1.00 0.00 H new ATOM 0 HE2 PHE A 73 21.645 27.064 -27.396 1.00 0.00 H new ATOM 0 HZ PHE A 73 23.589 28.528 -27.010 1.00 0.00 H new ATOM 1145 N SER A 74 25.770 24.063 -23.944 1.00 0.00 N ATOM 1146 CA SER A 74 27.108 24.477 -23.540 1.00 0.00 C ATOM 1147 C SER A 74 27.517 25.764 -24.251 1.00 0.00 C ATOM 1148 O SER A 74 27.479 25.847 -25.478 1.00 0.00 O ATOM 1149 CB SER A 74 28.120 23.371 -23.842 1.00 0.00 C ATOM 1150 OG SER A 74 29.427 23.754 -23.451 1.00 0.00 O ATOM 0 H SER A 74 25.649 23.951 -24.951 1.00 0.00 H new ATOM 0 HA SER A 74 27.094 24.664 -22.466 1.00 0.00 H new ATOM 0 HB2 SER A 74 27.833 22.459 -23.319 1.00 0.00 H new ATOM 0 HB3 SER A 74 28.108 23.144 -24.908 1.00 0.00 H new ATOM 0 HG SER A 74 30.055 23.029 -23.653 1.00 0.00 H new ATOM 1156 N GLY A 75 27.908 26.766 -23.470 1.00 0.00 N ATOM 1157 CA GLY A 75 28.319 28.035 -24.041 1.00 0.00 C ATOM 1158 C GLY A 75 29.450 28.682 -23.266 1.00 0.00 C ATOM 1159 O GLY A 75 30.617 28.318 -23.410 1.00 0.00 O ATOM 0 H GLY A 75 27.947 26.722 -22.452 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.632 27.881 -25.073 1.00 0.00 H new ATOM 0 HA3 GLY A 75 27.465 28.712 -24.065 1.00 0.00 H new ATOM 1163 N PRO A 76 29.107 29.667 -22.423 1.00 0.00 N ATOM 1164 CA PRO A 76 30.088 30.387 -21.606 1.00 0.00 C ATOM 1165 C PRO A 76 30.677 29.514 -20.503 1.00 0.00 C ATOM 1166 O PRO A 76 29.956 28.779 -19.829 1.00 0.00 O ATOM 1167 CB PRO A 76 29.274 31.534 -21.003 1.00 0.00 C ATOM 1168 CG PRO A 76 27.870 31.038 -20.993 1.00 0.00 C ATOM 1169 CD PRO A 76 27.735 30.153 -22.201 1.00 0.00 C ATOM 0 HA PRO A 76 30.944 30.717 -22.194 1.00 0.00 H new ATOM 0 HB2 PRO A 76 29.616 31.775 -19.996 1.00 0.00 H new ATOM 0 HB3 PRO A 76 29.369 32.442 -21.598 1.00 0.00 H new ATOM 0 HG2 PRO A 76 27.658 30.485 -20.078 1.00 0.00 H new ATOM 0 HG3 PRO A 76 27.163 31.867 -21.035 1.00 0.00 H new ATOM 0 HD2 PRO A 76 27.042 29.331 -22.022 1.00 0.00 H new ATOM 0 HD3 PRO A 76 27.360 30.704 -23.063 1.00 0.00 H new ATOM 1177 N SER A 77 31.991 29.600 -20.324 1.00 0.00 N ATOM 1178 CA SER A 77 32.677 28.815 -19.304 1.00 0.00 C ATOM 1179 C SER A 77 32.378 29.356 -17.910 1.00 0.00 C ATOM 1180 O SER A 77 32.882 30.409 -17.519 1.00 0.00 O ATOM 1181 CB SER A 77 34.186 28.824 -19.554 1.00 0.00 C ATOM 1182 OG SER A 77 34.808 27.698 -18.959 1.00 0.00 O ATOM 0 H SER A 77 32.602 30.205 -20.872 1.00 0.00 H new ATOM 0 HA SER A 77 32.312 27.790 -19.363 1.00 0.00 H new ATOM 0 HB2 SER A 77 34.380 28.826 -20.627 1.00 0.00 H new ATOM 0 HB3 SER A 77 34.619 29.739 -19.150 1.00 0.00 H new ATOM 0 HG SER A 77 35.772 27.726 -19.134 1.00 0.00 H new ATOM 1188 N SER A 78 31.553 28.628 -17.164 1.00 0.00 N ATOM 1189 CA SER A 78 31.182 29.035 -15.814 1.00 0.00 C ATOM 1190 C SER A 78 30.617 27.857 -15.027 1.00 0.00 C ATOM 1191 O SER A 78 30.186 26.860 -15.604 1.00 0.00 O ATOM 1192 CB SER A 78 30.156 30.169 -15.864 1.00 0.00 C ATOM 1193 OG SER A 78 28.974 29.758 -16.527 1.00 0.00 O ATOM 0 H SER A 78 31.129 27.753 -17.472 1.00 0.00 H new ATOM 0 HA SER A 78 32.080 29.389 -15.309 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.915 30.491 -14.851 1.00 0.00 H new ATOM 0 HB3 SER A 78 30.585 31.029 -16.378 1.00 0.00 H new ATOM 0 HG SER A 78 28.334 30.500 -16.544 1.00 0.00 H new ATOM 1199 N GLY A 79 30.622 27.981 -13.703 1.00 0.00 N ATOM 1200 CA GLY A 79 30.107 26.920 -12.857 1.00 0.00 C ATOM 1201 C GLY A 79 28.638 27.099 -12.530 1.00 0.00 C ATOM 1202 O GLY A 79 27.797 26.523 -13.218 1.00 0.00 O ATOM 0 H GLY A 79 30.973 28.797 -13.202 1.00 0.00 H new ATOM 0 HA2 GLY A 79 30.251 25.961 -13.355 1.00 0.00 H new ATOM 0 HA3 GLY A 79 30.681 26.888 -11.931 1.00 0.00 H new TER 1206 GLY A 79 HETATM 1207 ZN ZN A 201 -17.647 3.914 2.059 1.00 0.00 ZN HETATM 1208 ZN ZN A 401 6.231 1.638 -4.424 1.00 0.00 ZN