USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 180:sc= 0.789 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.822 K(o=1.6,f=0.061) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 162:sc= 0.75 (180deg=0) USER MOD Set 2.2: A 76 SER OG : rot 123:sc= 0.667 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.1 (180deg=0) USER MOD Single : A 2 SER OG : rot 48:sc= 0.301 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0592 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.49 K(o=0.49,f=-0.51) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= 1.28 (180deg=0.166) USER MOD Single : A 26 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 30 GLN : amide:sc= 0.956 K(o=0.96,f=-0.69) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00261 USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= 2.16 (180deg=1.73) USER MOD Single : A 50 GLN : amide:sc= 0.2 K(o=0.2,f=-3.3) USER MOD Single : A 55 MET CE :methyl 176:sc=-0.00822 (180deg=-0.0613) USER MOD Single : A 56 THR OG1 : rot 32:sc= 0.00496 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -116:sc= -3.54! (180deg=-10.7!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.201 -0.941 -5.535 1.00 0.00 N ATOM 2 CA GLY A 1 -24.499 -1.856 -6.445 1.00 0.00 C ATOM 3 C GLY A 1 -23.945 -1.106 -7.634 1.00 0.00 C ATOM 4 O GLY A 1 -24.498 -0.066 -7.986 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.104 -1.366 -5.244 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.613 -0.768 -4.695 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.383 -0.040 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.688 -2.355 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.183 -2.634 -6.786 1.00 0.00 H new ATOM 8 N SER A 2 -22.859 -1.609 -8.226 1.00 0.00 N ATOM 9 CA SER A 2 -22.207 -1.050 -9.405 1.00 0.00 C ATOM 10 C SER A 2 -23.167 -1.084 -10.595 1.00 0.00 C ATOM 11 O SER A 2 -23.244 -2.094 -11.297 1.00 0.00 O ATOM 12 CB SER A 2 -20.930 -1.847 -9.694 1.00 0.00 C ATOM 13 OG SER A 2 -21.226 -3.232 -9.647 1.00 0.00 O ATOM 0 H SER A 2 -22.395 -2.449 -7.881 1.00 0.00 H new ATOM 0 HA SER A 2 -21.935 -0.010 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.534 -1.580 -10.674 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.160 -1.602 -8.962 1.00 0.00 H new ATOM 0 HG SER A 2 -22.036 -3.411 -10.169 1.00 0.00 H new ATOM 19 N SER A 3 -23.928 -0.013 -10.774 1.00 0.00 N ATOM 20 CA SER A 3 -24.877 0.164 -11.852 1.00 0.00 C ATOM 21 C SER A 3 -24.201 0.897 -13.015 1.00 0.00 C ATOM 22 O SER A 3 -23.040 1.307 -12.929 1.00 0.00 O ATOM 23 CB SER A 3 -26.110 0.885 -11.283 1.00 0.00 C ATOM 24 OG SER A 3 -25.793 1.855 -10.284 1.00 0.00 O ATOM 0 H SER A 3 -23.896 0.787 -10.142 1.00 0.00 H new ATOM 0 HA SER A 3 -25.217 -0.787 -12.262 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.642 1.375 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.789 0.146 -10.858 1.00 0.00 H new ATOM 0 HG SER A 3 -26.618 2.277 -9.965 1.00 0.00 H new ATOM 30 N GLY A 4 -24.925 1.074 -14.121 1.00 0.00 N ATOM 31 CA GLY A 4 -24.424 1.808 -15.270 1.00 0.00 C ATOM 32 C GLY A 4 -24.133 3.256 -14.884 1.00 0.00 C ATOM 33 O GLY A 4 -25.029 3.951 -14.395 1.00 0.00 O ATOM 0 H GLY A 4 -25.871 0.712 -14.240 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.517 1.335 -15.646 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.156 1.779 -16.077 1.00 0.00 H new ATOM 37 N SER A 5 -22.902 3.705 -15.114 1.00 0.00 N ATOM 38 CA SER A 5 -22.496 5.105 -15.160 1.00 0.00 C ATOM 39 C SER A 5 -22.032 5.415 -16.589 1.00 0.00 C ATOM 40 O SER A 5 -22.007 4.527 -17.449 1.00 0.00 O ATOM 41 CB SER A 5 -21.405 5.359 -14.113 1.00 0.00 C ATOM 42 OG SER A 5 -21.972 5.348 -12.820 1.00 0.00 O ATOM 0 H SER A 5 -22.122 3.069 -15.282 1.00 0.00 H new ATOM 0 HA SER A 5 -23.323 5.771 -14.916 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.631 4.595 -14.187 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.924 6.319 -14.301 1.00 0.00 H new ATOM 0 HG SER A 5 -21.271 5.509 -12.154 1.00 0.00 H new ATOM 48 N SER A 6 -21.725 6.677 -16.892 1.00 0.00 N ATOM 49 CA SER A 6 -21.453 7.120 -18.253 1.00 0.00 C ATOM 50 C SER A 6 -20.489 8.300 -18.214 1.00 0.00 C ATOM 51 O SER A 6 -20.856 9.385 -17.763 1.00 0.00 O ATOM 52 CB SER A 6 -22.784 7.500 -18.913 1.00 0.00 C ATOM 53 OG SER A 6 -23.581 6.349 -19.122 1.00 0.00 O ATOM 0 H SER A 6 -21.659 7.420 -16.196 1.00 0.00 H new ATOM 0 HA SER A 6 -20.987 6.327 -18.838 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.319 8.210 -18.283 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.596 7.997 -19.865 1.00 0.00 H new ATOM 0 HG SER A 6 -24.427 6.609 -19.542 1.00 0.00 H new ATOM 59 N GLY A 7 -19.261 8.113 -18.696 1.00 0.00 N ATOM 60 CA GLY A 7 -18.240 9.147 -18.703 1.00 0.00 C ATOM 61 C GLY A 7 -17.646 9.330 -17.311 1.00 0.00 C ATOM 62 O GLY A 7 -16.879 8.473 -16.875 1.00 0.00 O ATOM 0 H GLY A 7 -18.949 7.228 -19.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.452 8.882 -19.408 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.671 10.088 -19.046 1.00 0.00 H new ATOM 66 N VAL A 8 -17.981 10.442 -16.654 1.00 0.00 N ATOM 67 CA VAL A 8 -17.290 11.014 -15.509 1.00 0.00 C ATOM 68 C VAL A 8 -17.075 9.965 -14.423 1.00 0.00 C ATOM 69 O VAL A 8 -18.011 9.517 -13.751 1.00 0.00 O ATOM 70 CB VAL A 8 -17.996 12.284 -14.994 1.00 0.00 C ATOM 71 CG1 VAL A 8 -17.094 13.007 -13.980 1.00 0.00 C ATOM 72 CG2 VAL A 8 -18.311 13.271 -16.132 1.00 0.00 C ATOM 0 H VAL A 8 -18.792 10.997 -16.928 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.300 11.336 -15.833 1.00 0.00 H new ATOM 0 HB VAL A 8 -18.931 11.964 -14.533 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.598 13.904 -13.619 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.887 12.344 -13.140 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.157 13.286 -14.461 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.808 14.151 -15.723 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.384 13.572 -16.620 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.965 12.790 -16.860 1.00 0.00 H new ATOM 82 N ARG A 9 -15.819 9.560 -14.291 1.00 0.00 N ATOM 83 CA ARG A 9 -15.307 8.674 -13.248 1.00 0.00 C ATOM 84 C ARG A 9 -14.454 9.456 -12.252 1.00 0.00 C ATOM 85 O ARG A 9 -14.041 10.586 -12.519 1.00 0.00 O ATOM 86 CB ARG A 9 -14.499 7.531 -13.892 1.00 0.00 C ATOM 87 CG ARG A 9 -13.242 8.013 -14.646 1.00 0.00 C ATOM 88 CD ARG A 9 -13.310 7.722 -16.148 1.00 0.00 C ATOM 89 NE ARG A 9 -13.034 6.307 -16.403 1.00 0.00 N ATOM 90 CZ ARG A 9 -12.817 5.722 -17.579 1.00 0.00 C ATOM 91 NH1 ARG A 9 -12.928 6.370 -18.735 1.00 0.00 N ATOM 92 NH2 ARG A 9 -12.496 4.443 -17.590 1.00 0.00 N ATOM 0 H ARG A 9 -15.090 9.855 -14.941 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.145 8.243 -12.700 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.199 6.827 -13.116 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.142 6.988 -14.584 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.119 9.085 -14.492 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.362 7.528 -14.225 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.296 7.982 -16.532 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.588 8.342 -16.679 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.005 5.699 -15.585 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.189 7.356 -18.744 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.752 5.881 -19.613 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.420 3.929 -16.712 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.324 3.968 -18.476 1.00 0.00 H new ATOM 106 N VAL A 10 -14.084 8.819 -11.149 1.00 0.00 N ATOM 107 CA VAL A 10 -12.980 9.232 -10.294 1.00 0.00 C ATOM 108 C VAL A 10 -12.220 7.979 -9.859 1.00 0.00 C ATOM 109 O VAL A 10 -12.809 6.898 -9.763 1.00 0.00 O ATOM 110 CB VAL A 10 -13.459 10.137 -9.147 1.00 0.00 C ATOM 111 CG1 VAL A 10 -14.577 9.476 -8.358 1.00 0.00 C ATOM 112 CG2 VAL A 10 -12.313 10.551 -8.210 1.00 0.00 C ATOM 0 H VAL A 10 -14.556 7.979 -10.816 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.278 9.863 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.846 11.046 -9.608 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.896 10.139 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.420 9.276 -9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.218 8.538 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.704 11.189 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.863 9.661 -7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.559 11.097 -8.777 1.00 0.00 H new ATOM 122 N LEU A 11 -10.920 8.138 -9.609 1.00 0.00 N ATOM 123 CA LEU A 11 -10.026 7.155 -9.034 1.00 0.00 C ATOM 124 C LEU A 11 -9.136 7.930 -8.072 1.00 0.00 C ATOM 125 O LEU A 11 -8.412 8.829 -8.504 1.00 0.00 O ATOM 126 CB LEU A 11 -9.152 6.498 -10.122 1.00 0.00 C ATOM 127 CG LEU A 11 -9.905 5.791 -11.260 1.00 0.00 C ATOM 128 CD1 LEU A 11 -8.943 5.464 -12.408 1.00 0.00 C ATOM 129 CD2 LEU A 11 -10.566 4.494 -10.781 1.00 0.00 C ATOM 0 H LEU A 11 -10.442 9.014 -9.819 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.584 6.358 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.513 7.266 -10.559 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.495 5.772 -9.642 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.684 6.471 -11.605 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.488 4.963 -13.208 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.505 6.386 -12.789 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.151 4.810 -12.044 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.089 4.023 -11.614 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.802 3.815 -10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.278 4.720 -9.987 1.00 0.00 H new ATOM 141 N SER A 12 -9.178 7.610 -6.784 1.00 0.00 N ATOM 142 CA SER A 12 -8.276 8.154 -5.777 1.00 0.00 C ATOM 143 C SER A 12 -7.534 6.986 -5.145 1.00 0.00 C ATOM 144 O SER A 12 -8.127 5.918 -4.974 1.00 0.00 O ATOM 145 CB SER A 12 -9.069 8.934 -4.727 1.00 0.00 C ATOM 146 OG SER A 12 -9.932 9.876 -5.348 1.00 0.00 O ATOM 0 H SER A 12 -9.856 6.950 -6.403 1.00 0.00 H new ATOM 0 HA SER A 12 -7.564 8.846 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.653 8.244 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.383 9.449 -4.055 1.00 0.00 H new ATOM 0 HG SER A 12 -10.432 10.364 -4.661 1.00 0.00 H new ATOM 152 N TYR A 13 -6.250 7.156 -4.832 1.00 0.00 N ATOM 153 CA TYR A 13 -5.498 6.118 -4.144 1.00 0.00 C ATOM 154 C TYR A 13 -6.013 6.023 -2.717 1.00 0.00 C ATOM 155 O TYR A 13 -5.895 6.975 -1.942 1.00 0.00 O ATOM 156 CB TYR A 13 -3.986 6.374 -4.211 1.00 0.00 C ATOM 157 CG TYR A 13 -3.279 5.742 -5.405 1.00 0.00 C ATOM 158 CD1 TYR A 13 -3.956 5.483 -6.618 1.00 0.00 C ATOM 159 CD2 TYR A 13 -1.930 5.364 -5.279 1.00 0.00 C ATOM 160 CE1 TYR A 13 -3.307 4.820 -7.671 1.00 0.00 C ATOM 161 CE2 TYR A 13 -1.271 4.710 -6.336 1.00 0.00 C ATOM 162 CZ TYR A 13 -1.958 4.428 -7.535 1.00 0.00 C ATOM 163 OH TYR A 13 -1.309 3.812 -8.558 1.00 0.00 O ATOM 0 H TYR A 13 -5.715 7.998 -5.044 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.650 5.159 -4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.815 7.450 -4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.528 5.999 -3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.982 5.798 -6.736 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.396 5.577 -4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.840 4.610 -8.586 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.235 4.423 -6.229 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.387 3.615 -8.289 1.00 0.00 H new ATOM 173 N ASP A 14 -6.607 4.876 -2.387 1.00 0.00 N ATOM 174 CA ASP A 14 -6.907 4.545 -1.006 1.00 0.00 C ATOM 175 C ASP A 14 -5.607 4.567 -0.205 1.00 0.00 C ATOM 176 O ASP A 14 -4.565 4.108 -0.678 1.00 0.00 O ATOM 177 CB ASP A 14 -7.630 3.195 -0.874 1.00 0.00 C ATOM 178 CG ASP A 14 -6.710 1.966 -0.904 1.00 0.00 C ATOM 179 OD1 ASP A 14 -6.039 1.703 0.119 1.00 0.00 O ATOM 180 OD2 ASP A 14 -6.717 1.241 -1.922 1.00 0.00 O ATOM 0 H ASP A 14 -6.887 4.165 -3.062 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.595 5.290 -0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.191 3.189 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.356 3.107 -1.682 1.00 0.00 H new ATOM 185 N LYS A 15 -5.674 5.116 1.009 1.00 0.00 N ATOM 186 CA LYS A 15 -4.558 5.135 1.950 1.00 0.00 C ATOM 187 C LYS A 15 -4.967 4.716 3.349 1.00 0.00 C ATOM 188 O LYS A 15 -4.119 4.186 4.059 1.00 0.00 O ATOM 189 CB LYS A 15 -3.857 6.506 1.987 1.00 0.00 C ATOM 190 CG LYS A 15 -4.801 7.716 2.051 1.00 0.00 C ATOM 191 CD LYS A 15 -4.003 8.987 2.367 1.00 0.00 C ATOM 192 CE LYS A 15 -4.683 10.206 1.744 1.00 0.00 C ATOM 193 NZ LYS A 15 -4.054 11.465 2.179 1.00 0.00 N ATOM 0 H LYS A 15 -6.516 5.565 1.369 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.847 4.397 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.194 6.535 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.229 6.600 1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.323 7.831 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.561 7.555 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.925 9.117 3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.987 8.892 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.636 10.133 0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.738 10.213 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.321 12.230 1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.376 11.700 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.020 11.355 2.178 1.00 0.00 H new ATOM 207 N GLU A 16 -6.227 4.920 3.737 1.00 0.00 N ATOM 208 CA GLU A 16 -6.715 4.661 5.083 1.00 0.00 C ATOM 209 C GLU A 16 -7.256 3.237 5.221 1.00 0.00 C ATOM 210 O GLU A 16 -7.322 2.714 6.334 1.00 0.00 O ATOM 211 CB GLU A 16 -7.823 5.675 5.430 1.00 0.00 C ATOM 212 CG GLU A 16 -8.940 5.728 4.368 1.00 0.00 C ATOM 213 CD GLU A 16 -10.262 6.340 4.833 1.00 0.00 C ATOM 214 OE1 GLU A 16 -10.621 6.222 6.029 1.00 0.00 O ATOM 215 OE2 GLU A 16 -10.999 6.832 3.954 1.00 0.00 O ATOM 0 H GLU A 16 -6.947 5.277 3.109 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.879 4.769 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.258 5.415 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.382 6.666 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.577 6.298 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.133 4.714 4.017 1.00 0.00 H new ATOM 222 N LYS A 17 -7.697 2.617 4.119 1.00 0.00 N ATOM 223 CA LYS A 17 -8.305 1.299 4.180 1.00 0.00 C ATOM 224 C LYS A 17 -7.204 0.264 4.072 1.00 0.00 C ATOM 225 O LYS A 17 -6.130 0.549 3.545 1.00 0.00 O ATOM 226 CB LYS A 17 -9.419 1.141 3.138 1.00 0.00 C ATOM 227 CG LYS A 17 -8.925 0.676 1.769 1.00 0.00 C ATOM 228 CD LYS A 17 -9.893 0.967 0.616 1.00 0.00 C ATOM 229 CE LYS A 17 -11.231 0.230 0.734 1.00 0.00 C ATOM 230 NZ LYS A 17 -12.284 0.946 -0.013 1.00 0.00 N ATOM 0 H LYS A 17 -7.640 3.013 3.181 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.810 1.153 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.153 0.426 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.933 2.095 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.971 1.158 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.738 -0.397 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.082 2.040 0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.417 0.690 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.129 -0.784 0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.515 0.145 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.184 0.433 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.392 1.906 0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.019 1.005 -1.017 1.00 0.00 H new ATOM 244 N LEU A 18 -7.466 -0.950 4.541 1.00 0.00 N ATOM 245 CA LEU A 18 -6.479 -2.007 4.443 1.00 0.00 C ATOM 246 C LEU A 18 -6.644 -2.628 3.065 1.00 0.00 C ATOM 247 O LEU A 18 -7.559 -3.432 2.876 1.00 0.00 O ATOM 248 CB LEU A 18 -6.585 -2.997 5.612 1.00 0.00 C ATOM 249 CG LEU A 18 -6.649 -2.336 7.005 1.00 0.00 C ATOM 250 CD1 LEU A 18 -6.542 -3.410 8.088 1.00 0.00 C ATOM 251 CD2 LEU A 18 -5.557 -1.279 7.215 1.00 0.00 C ATOM 0 H LEU A 18 -8.343 -1.221 4.987 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.463 -1.624 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.476 -3.610 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.727 -3.669 5.582 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.608 -1.822 7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.587 -2.941 9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.367 -4.115 7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.596 -3.940 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.653 -0.850 8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.576 -1.744 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.665 -0.492 6.469 1.00 0.00 H new ATOM 263 N ASN A 19 -5.842 -2.206 2.085 1.00 0.00 N ATOM 264 CA ASN A 19 -5.988 -2.629 0.685 1.00 0.00 C ATOM 265 C ASN A 19 -4.670 -3.012 0.014 1.00 0.00 C ATOM 266 O ASN A 19 -4.699 -3.470 -1.126 1.00 0.00 O ATOM 267 CB ASN A 19 -6.626 -1.508 -0.145 1.00 0.00 C ATOM 268 CG ASN A 19 -7.700 -1.993 -1.108 1.00 0.00 C ATOM 269 OD1 ASN A 19 -8.505 -2.871 -0.795 1.00 0.00 O ATOM 270 ND2 ASN A 19 -7.798 -1.363 -2.258 1.00 0.00 N ATOM 0 H ASN A 19 -5.069 -1.558 2.238 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.619 -3.517 0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.062 -0.772 0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.846 -0.999 -0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.549 -1.599 -2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.123 -0.638 -2.502 1.00 0.00 H new ATOM 277 N TRP A 20 -3.524 -2.812 0.671 1.00 0.00 N ATOM 278 CA TRP A 20 -2.216 -3.012 0.061 1.00 0.00 C ATOM 279 C TRP A 20 -1.515 -4.209 0.691 1.00 0.00 C ATOM 280 O TRP A 20 -1.257 -4.204 1.895 1.00 0.00 O ATOM 281 CB TRP A 20 -1.391 -1.717 0.126 1.00 0.00 C ATOM 282 CG TRP A 20 -1.980 -0.485 -0.517 1.00 0.00 C ATOM 283 CD1 TRP A 20 -3.012 0.251 -0.047 1.00 0.00 C ATOM 284 CD2 TRP A 20 -1.622 0.139 -1.793 1.00 0.00 C ATOM 285 NE1 TRP A 20 -3.385 1.193 -0.985 1.00 0.00 N ATOM 286 CE2 TRP A 20 -2.566 1.162 -2.095 1.00 0.00 C ATOM 287 CE3 TRP A 20 -0.710 -0.206 -2.817 1.00 0.00 C ATOM 288 CZ2 TRP A 20 -2.552 1.841 -3.324 1.00 0.00 C ATOM 289 CZ3 TRP A 20 -0.757 0.382 -4.092 1.00 0.00 C ATOM 290 CH2 TRP A 20 -1.650 1.443 -4.331 1.00 0.00 C ATOM 0 H TRP A 20 -3.482 -2.506 1.643 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.336 -3.247 -0.997 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.201 -1.491 1.175 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.424 -1.910 -0.339 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.476 0.121 0.920 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -4.170 1.834 -0.871 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.049 -0.947 -2.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.229 2.664 -3.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.114 0.023 -4.882 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -1.644 1.951 -5.284 1.00 0.00 H new ATOM 301 N LEU A 21 -1.254 -5.245 -0.107 1.00 0.00 N ATOM 302 CA LEU A 21 -0.520 -6.439 0.294 1.00 0.00 C ATOM 303 C LEU A 21 0.964 -6.179 -0.005 1.00 0.00 C ATOM 304 O LEU A 21 1.298 -5.391 -0.897 1.00 0.00 O ATOM 305 CB LEU A 21 -1.007 -7.682 -0.498 1.00 0.00 C ATOM 306 CG LEU A 21 -2.515 -8.024 -0.476 1.00 0.00 C ATOM 307 CD1 LEU A 21 -2.813 -9.117 -1.506 1.00 0.00 C ATOM 308 CD2 LEU A 21 -2.887 -8.555 0.908 1.00 0.00 C ATOM 0 H LEU A 21 -1.558 -5.274 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.681 -6.642 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.712 -7.549 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.464 -8.549 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.088 -7.127 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.877 -9.355 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.538 -8.765 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.237 -10.011 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.949 -8.798 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.305 -9.451 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.673 -7.795 1.659 1.00 0.00 H new ATOM 320 N TYR A 22 1.863 -6.867 0.706 1.00 0.00 N ATOM 321 CA TYR A 22 3.290 -6.919 0.373 1.00 0.00 C ATOM 322 C TYR A 22 3.847 -8.274 0.768 1.00 0.00 C ATOM 323 O TYR A 22 3.366 -8.865 1.741 1.00 0.00 O ATOM 324 CB TYR A 22 4.089 -5.816 1.077 1.00 0.00 C ATOM 325 CG TYR A 22 4.284 -5.954 2.581 1.00 0.00 C ATOM 326 CD1 TYR A 22 5.283 -6.797 3.112 1.00 0.00 C ATOM 327 CD2 TYR A 22 3.521 -5.155 3.448 1.00 0.00 C ATOM 328 CE1 TYR A 22 5.500 -6.837 4.505 1.00 0.00 C ATOM 329 CE2 TYR A 22 3.752 -5.175 4.836 1.00 0.00 C ATOM 330 CZ TYR A 22 4.731 -6.034 5.377 1.00 0.00 C ATOM 331 OH TYR A 22 4.936 -6.087 6.725 1.00 0.00 O ATOM 0 H TYR A 22 1.619 -7.408 1.536 1.00 0.00 H new ATOM 0 HA TYR A 22 3.386 -6.762 -0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.073 -5.762 0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.593 -4.864 0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.880 -7.410 2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.748 -4.518 3.045 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.261 -7.488 4.909 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.179 -4.532 5.488 1.00 0.00 H new ATOM 0 HH TYR A 22 4.322 -5.469 7.174 1.00 0.00 H new ATOM 341 N LYS A 23 4.845 -8.788 0.048 1.00 0.00 N ATOM 342 CA LYS A 23 5.543 -9.984 0.490 1.00 0.00 C ATOM 343 C LYS A 23 6.695 -9.524 1.367 1.00 0.00 C ATOM 344 O LYS A 23 7.439 -8.608 0.998 1.00 0.00 O ATOM 345 CB LYS A 23 6.091 -10.786 -0.687 1.00 0.00 C ATOM 346 CG LYS A 23 5.780 -12.283 -0.531 1.00 0.00 C ATOM 347 CD LYS A 23 6.744 -13.131 -1.375 1.00 0.00 C ATOM 348 CE LYS A 23 6.076 -14.335 -2.046 1.00 0.00 C ATOM 349 NZ LYS A 23 5.528 -15.342 -1.116 1.00 0.00 N ATOM 0 H LYS A 23 5.181 -8.397 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 23 4.853 -10.633 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.657 -10.416 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.169 -10.641 -0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.860 -12.568 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.752 -12.479 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.192 -12.500 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.556 -13.484 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.269 -13.975 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.804 -14.820 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.720 -16.295 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.977 -15.234 -0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.501 -15.207 -1.024 1.00 0.00 H new ATOM 363 N ASP A 24 6.793 -10.102 2.550 1.00 0.00 N ATOM 364 CA ASP A 24 7.828 -9.785 3.527 1.00 0.00 C ATOM 365 C ASP A 24 9.133 -10.541 3.180 1.00 0.00 C ATOM 366 O ASP A 24 9.178 -11.234 2.154 1.00 0.00 O ATOM 367 CB ASP A 24 7.225 -10.072 4.913 1.00 0.00 C ATOM 368 CG ASP A 24 7.115 -11.548 5.278 1.00 0.00 C ATOM 369 OD1 ASP A 24 7.707 -12.410 4.611 1.00 0.00 O ATOM 370 OD2 ASP A 24 6.424 -11.810 6.287 1.00 0.00 O ATOM 0 H ASP A 24 6.143 -10.821 2.869 1.00 0.00 H new ATOM 0 HA ASP A 24 8.131 -8.738 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.833 -9.572 5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.231 -9.627 4.959 1.00 0.00 H new ATOM 375 N PRO A 25 10.235 -10.407 3.949 1.00 0.00 N ATOM 376 CA PRO A 25 11.480 -11.111 3.649 1.00 0.00 C ATOM 377 C PRO A 25 11.472 -12.573 4.123 1.00 0.00 C ATOM 378 O PRO A 25 12.354 -13.338 3.741 1.00 0.00 O ATOM 379 CB PRO A 25 12.571 -10.290 4.339 1.00 0.00 C ATOM 380 CG PRO A 25 11.869 -9.704 5.557 1.00 0.00 C ATOM 381 CD PRO A 25 10.432 -9.505 5.077 1.00 0.00 C ATOM 0 HA PRO A 25 11.641 -11.186 2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.418 -10.912 4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.957 -9.508 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.917 -10.379 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.323 -8.763 5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.724 -9.725 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.264 -8.470 4.778 1.00 0.00 H new ATOM 389 N GLN A 26 10.492 -12.982 4.938 1.00 0.00 N ATOM 390 CA GLN A 26 10.288 -14.386 5.284 1.00 0.00 C ATOM 391 C GLN A 26 9.719 -15.124 4.065 1.00 0.00 C ATOM 392 O GLN A 26 9.997 -16.309 3.869 1.00 0.00 O ATOM 393 CB GLN A 26 9.342 -14.485 6.497 1.00 0.00 C ATOM 394 CG GLN A 26 9.914 -13.823 7.762 1.00 0.00 C ATOM 395 CD GLN A 26 9.058 -12.674 8.295 1.00 0.00 C ATOM 396 OE1 GLN A 26 8.135 -12.856 9.088 1.00 0.00 O ATOM 397 NE2 GLN A 26 9.372 -11.444 7.920 1.00 0.00 N ATOM 0 H GLN A 26 9.822 -12.348 5.373 1.00 0.00 H new ATOM 0 HA GLN A 26 11.234 -14.852 5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.390 -14.016 6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.136 -15.535 6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.018 -14.578 8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.914 -13.449 7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.137 -11.291 7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.849 -10.649 8.288 1.00 0.00 H new ATOM 406 N GLY A 27 8.970 -14.422 3.214 1.00 0.00 N ATOM 407 CA GLY A 27 8.295 -14.943 2.043 1.00 0.00 C ATOM 408 C GLY A 27 6.796 -15.109 2.283 1.00 0.00 C ATOM 409 O GLY A 27 6.144 -15.762 1.470 1.00 0.00 O ATOM 0 H GLY A 27 8.815 -13.421 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.456 -14.271 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.729 -15.905 1.771 1.00 0.00 H new ATOM 413 N LEU A 28 6.225 -14.562 3.358 1.00 0.00 N ATOM 414 CA LEU A 28 4.791 -14.624 3.621 1.00 0.00 C ATOM 415 C LEU A 28 4.128 -13.434 2.916 1.00 0.00 C ATOM 416 O LEU A 28 4.686 -12.333 2.870 1.00 0.00 O ATOM 417 CB LEU A 28 4.512 -14.570 5.137 1.00 0.00 C ATOM 418 CG LEU A 28 4.775 -15.832 5.990 1.00 0.00 C ATOM 419 CD1 LEU A 28 3.966 -17.043 5.524 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.244 -16.215 6.106 1.00 0.00 C ATOM 0 H LEU A 28 6.751 -14.061 4.074 1.00 0.00 H new ATOM 0 HA LEU A 28 4.385 -15.562 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.111 -13.760 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.466 -14.294 5.270 1.00 0.00 H new ATOM 0 HG LEU A 28 4.436 -15.543 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.192 -17.899 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.902 -16.816 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.226 -17.279 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.339 -17.110 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.648 -16.412 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.798 -15.398 6.568 1.00 0.00 H new ATOM 432 N VAL A 29 2.930 -13.649 2.368 1.00 0.00 N ATOM 433 CA VAL A 29 2.043 -12.588 1.891 1.00 0.00 C ATOM 434 C VAL A 29 1.450 -11.944 3.142 1.00 0.00 C ATOM 435 O VAL A 29 0.621 -12.559 3.819 1.00 0.00 O ATOM 436 CB VAL A 29 0.988 -13.182 0.921 1.00 0.00 C ATOM 437 CG1 VAL A 29 -0.218 -12.290 0.533 1.00 0.00 C ATOM 438 CG2 VAL A 29 1.709 -13.590 -0.372 1.00 0.00 C ATOM 0 H VAL A 29 2.543 -14.584 2.241 1.00 0.00 H new ATOM 0 HA VAL A 29 2.558 -11.822 1.311 1.00 0.00 H new ATOM 0 HB VAL A 29 0.546 -14.008 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.870 -12.836 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.775 -12.021 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.142 -11.385 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.988 -14.012 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.179 -12.714 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.472 -14.335 -0.144 1.00 0.00 H new ATOM 448 N GLN A 30 1.926 -10.758 3.513 1.00 0.00 N ATOM 449 CA GLN A 30 1.368 -10.012 4.633 1.00 0.00 C ATOM 450 C GLN A 30 0.264 -9.082 4.133 1.00 0.00 C ATOM 451 O GLN A 30 0.283 -8.616 2.989 1.00 0.00 O ATOM 452 CB GLN A 30 2.447 -9.196 5.368 1.00 0.00 C ATOM 453 CG GLN A 30 3.583 -10.033 5.984 1.00 0.00 C ATOM 454 CD GLN A 30 3.108 -11.057 7.028 1.00 0.00 C ATOM 455 OE1 GLN A 30 2.033 -10.940 7.618 1.00 0.00 O ATOM 456 NE2 GLN A 30 3.880 -12.095 7.286 1.00 0.00 N ATOM 0 H GLN A 30 2.704 -10.291 3.048 1.00 0.00 H new ATOM 0 HA GLN A 30 0.954 -10.730 5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.880 -8.480 4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.969 -8.619 6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.107 -10.559 5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.304 -9.361 6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.772 -12.200 6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.585 -12.793 7.969 1.00 0.00 H new ATOM 465 N GLY A 31 -0.655 -8.740 5.034 1.00 0.00 N ATOM 466 CA GLY A 31 -1.590 -7.645 4.857 1.00 0.00 C ATOM 467 C GLY A 31 -3.009 -8.130 4.596 1.00 0.00 C ATOM 468 O GLY A 31 -3.342 -9.272 4.934 1.00 0.00 O ATOM 0 H GLY A 31 -0.768 -9.229 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.582 -7.016 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.263 -7.022 4.024 1.00 0.00 H new ATOM 472 N PRO A 32 -3.873 -7.282 4.023 1.00 0.00 N ATOM 473 CA PRO A 32 -3.537 -5.973 3.469 1.00 0.00 C ATOM 474 C PRO A 32 -3.333 -4.909 4.551 1.00 0.00 C ATOM 475 O PRO A 32 -3.623 -5.148 5.723 1.00 0.00 O ATOM 476 CB PRO A 32 -4.712 -5.658 2.553 1.00 0.00 C ATOM 477 CG PRO A 32 -5.897 -6.299 3.275 1.00 0.00 C ATOM 478 CD PRO A 32 -5.274 -7.590 3.794 1.00 0.00 C ATOM 0 HA PRO A 32 -2.585 -5.979 2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.849 -4.584 2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.571 -6.079 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.273 -5.671 4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.733 -6.489 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.759 -7.917 4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.385 -8.398 3.070 1.00 0.00 H new ATOM 486 N PHE A 33 -2.850 -3.737 4.141 1.00 0.00 N ATOM 487 CA PHE A 33 -2.476 -2.615 4.987 1.00 0.00 C ATOM 488 C PHE A 33 -2.949 -1.302 4.376 1.00 0.00 C ATOM 489 O PHE A 33 -3.254 -1.243 3.180 1.00 0.00 O ATOM 490 CB PHE A 33 -0.951 -2.597 5.145 1.00 0.00 C ATOM 491 CG PHE A 33 -0.426 -3.846 5.811 1.00 0.00 C ATOM 492 CD1 PHE A 33 -0.809 -4.123 7.133 1.00 0.00 C ATOM 493 CD2 PHE A 33 0.387 -4.756 5.111 1.00 0.00 C ATOM 494 CE1 PHE A 33 -0.388 -5.310 7.753 1.00 0.00 C ATOM 495 CE2 PHE A 33 0.847 -5.914 5.751 1.00 0.00 C ATOM 496 CZ PHE A 33 0.459 -6.196 7.068 1.00 0.00 C ATOM 0 H PHE A 33 -2.702 -3.538 3.151 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.949 -2.728 5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.488 -2.490 4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.660 -1.726 5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.428 -3.422 7.673 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.656 -4.562 4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.715 -5.542 8.756 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.504 -6.593 5.227 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.811 -7.093 7.555 1.00 0.00 H new ATOM 506 N SER A 34 -3.008 -0.263 5.204 1.00 0.00 N ATOM 507 CA SER A 34 -3.149 1.122 4.791 1.00 0.00 C ATOM 508 C SER A 34 -1.825 1.595 4.190 1.00 0.00 C ATOM 509 O SER A 34 -0.753 1.225 4.686 1.00 0.00 O ATOM 510 CB SER A 34 -3.596 1.977 5.997 1.00 0.00 C ATOM 511 OG SER A 34 -3.126 1.506 7.249 1.00 0.00 O ATOM 0 H SER A 34 -2.957 -0.371 6.217 1.00 0.00 H new ATOM 0 HA SER A 34 -3.917 1.226 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.248 3.000 5.852 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.685 2.011 6.020 1.00 0.00 H new ATOM 0 HG SER A 34 -3.447 2.097 7.962 1.00 0.00 H new ATOM 517 N LEU A 35 -1.877 2.471 3.180 1.00 0.00 N ATOM 518 CA LEU A 35 -0.674 3.152 2.695 1.00 0.00 C ATOM 519 C LEU A 35 -0.027 3.921 3.826 1.00 0.00 C ATOM 520 O LEU A 35 1.193 3.987 3.892 1.00 0.00 O ATOM 521 CB LEU A 35 -0.935 4.157 1.565 1.00 0.00 C ATOM 522 CG LEU A 35 -1.232 3.526 0.206 1.00 0.00 C ATOM 523 CD1 LEU A 35 -1.506 4.598 -0.855 1.00 0.00 C ATOM 524 CD2 LEU A 35 -0.060 2.645 -0.245 1.00 0.00 C ATOM 0 H LEU A 35 -2.733 2.723 2.686 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.034 2.359 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.776 4.791 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.065 4.806 1.467 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.125 2.910 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.714 4.118 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.366 5.196 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.633 5.243 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.289 2.204 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.841 3.252 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.101 1.852 0.485 1.00 0.00 H new ATOM 536 N THR A 36 -0.828 4.490 4.717 1.00 0.00 N ATOM 537 CA THR A 36 -0.322 5.258 5.829 1.00 0.00 C ATOM 538 C THR A 36 0.491 4.365 6.781 1.00 0.00 C ATOM 539 O THR A 36 1.547 4.806 7.240 1.00 0.00 O ATOM 540 CB THR A 36 -1.516 5.962 6.480 1.00 0.00 C ATOM 541 OG1 THR A 36 -2.317 6.553 5.464 1.00 0.00 O ATOM 542 CG2 THR A 36 -1.058 7.095 7.381 1.00 0.00 C ATOM 0 H THR A 36 -1.846 4.428 4.683 1.00 0.00 H new ATOM 0 HA THR A 36 0.384 6.024 5.508 1.00 0.00 H new ATOM 0 HB THR A 36 -2.065 5.219 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.085 7.004 5.874 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.927 7.577 7.830 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.417 6.698 8.168 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.501 7.825 6.793 1.00 0.00 H new ATOM 550 N GLN A 37 0.083 3.105 7.020 1.00 0.00 N ATOM 551 CA GLN A 37 0.899 2.171 7.797 1.00 0.00 C ATOM 552 C GLN A 37 2.212 1.889 7.065 1.00 0.00 C ATOM 553 O GLN A 37 3.286 2.005 7.655 1.00 0.00 O ATOM 554 CB GLN A 37 0.149 0.862 8.143 1.00 0.00 C ATOM 555 CG GLN A 37 -0.705 1.082 9.397 1.00 0.00 C ATOM 556 CD GLN A 37 -1.489 -0.142 9.872 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.172 -0.743 10.900 1.00 0.00 O ATOM 558 NE2 GLN A 37 -2.566 -0.509 9.200 1.00 0.00 N ATOM 0 H GLN A 37 -0.800 2.718 6.687 1.00 0.00 H new ATOM 0 HA GLN A 37 1.122 2.647 8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.483 0.560 7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.862 0.055 8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.055 1.414 10.206 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.409 1.891 9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.830 -0.013 8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.133 -1.289 9.532 1.00 0.00 H new ATOM 567 N LEU A 38 2.130 1.585 5.765 1.00 0.00 N ATOM 568 CA LEU A 38 3.296 1.308 4.933 1.00 0.00 C ATOM 569 C LEU A 38 4.265 2.488 4.935 1.00 0.00 C ATOM 570 O LEU A 38 5.465 2.263 5.034 1.00 0.00 O ATOM 571 CB LEU A 38 2.866 0.957 3.497 1.00 0.00 C ATOM 572 CG LEU A 38 2.082 -0.363 3.386 1.00 0.00 C ATOM 573 CD1 LEU A 38 1.352 -0.435 2.043 1.00 0.00 C ATOM 574 CD2 LEU A 38 2.998 -1.580 3.513 1.00 0.00 C ATOM 0 H LEU A 38 1.245 1.525 5.262 1.00 0.00 H new ATOM 0 HA LEU A 38 3.816 0.448 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.252 1.767 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.754 0.895 2.867 1.00 0.00 H new ATOM 0 HG LEU A 38 1.365 -0.379 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.802 -1.374 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.656 0.400 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.078 -0.383 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.406 -2.491 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.744 -1.558 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.498 -1.560 4.481 1.00 0.00 H new ATOM 586 N LYS A 39 3.774 3.726 4.838 1.00 0.00 N ATOM 587 CA LYS A 39 4.575 4.944 4.892 1.00 0.00 C ATOM 588 C LYS A 39 5.360 4.989 6.197 1.00 0.00 C ATOM 589 O LYS A 39 6.571 5.176 6.125 1.00 0.00 O ATOM 590 CB LYS A 39 3.674 6.176 4.683 1.00 0.00 C ATOM 591 CG LYS A 39 4.357 7.534 4.962 1.00 0.00 C ATOM 592 CD LYS A 39 4.310 8.509 3.780 1.00 0.00 C ATOM 593 CE LYS A 39 4.571 9.954 4.225 1.00 0.00 C ATOM 594 NZ LYS A 39 5.971 10.212 4.624 1.00 0.00 N ATOM 0 H LYS A 39 2.778 3.910 4.716 1.00 0.00 H new ATOM 0 HA LYS A 39 5.306 4.951 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.311 6.173 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.802 6.084 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.878 8.000 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.398 7.357 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.053 8.217 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.335 8.448 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.305 10.629 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.915 10.190 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.072 11.206 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.225 9.593 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.602 10.018 3.821 1.00 0.00 H new ATOM 608 N ALA A 40 4.717 4.818 7.357 1.00 0.00 N ATOM 609 CA ALA A 40 5.407 4.868 8.647 1.00 0.00 C ATOM 610 C ALA A 40 6.493 3.796 8.728 1.00 0.00 C ATOM 611 O ALA A 40 7.618 4.106 9.110 1.00 0.00 O ATOM 612 CB ALA A 40 4.429 4.678 9.805 1.00 0.00 C ATOM 0 H ALA A 40 3.715 4.643 7.427 1.00 0.00 H new ATOM 0 HA ALA A 40 5.866 5.853 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.971 4.720 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.679 5.469 9.781 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.938 3.709 9.711 1.00 0.00 H new ATOM 618 N TRP A 41 6.184 2.552 8.357 1.00 0.00 N ATOM 619 CA TRP A 41 7.157 1.468 8.376 1.00 0.00 C ATOM 620 C TRP A 41 8.319 1.751 7.421 1.00 0.00 C ATOM 621 O TRP A 41 9.473 1.548 7.786 1.00 0.00 O ATOM 622 CB TRP A 41 6.453 0.162 8.016 1.00 0.00 C ATOM 623 CG TRP A 41 5.444 -0.348 9.001 1.00 0.00 C ATOM 624 CD1 TRP A 41 5.528 -0.301 10.352 1.00 0.00 C ATOM 625 CD2 TRP A 41 4.209 -1.058 8.709 1.00 0.00 C ATOM 626 NE1 TRP A 41 4.417 -0.907 10.907 1.00 0.00 N ATOM 627 CE2 TRP A 41 3.566 -1.386 9.935 1.00 0.00 C ATOM 628 CE3 TRP A 41 3.587 -1.480 7.518 1.00 0.00 C ATOM 629 CZ2 TRP A 41 2.348 -2.079 9.969 1.00 0.00 C ATOM 630 CZ3 TRP A 41 2.373 -2.188 7.536 1.00 0.00 C ATOM 631 CH2 TRP A 41 1.756 -2.484 8.764 1.00 0.00 C ATOM 0 H TRP A 41 5.257 2.273 8.037 1.00 0.00 H new ATOM 0 HA TRP A 41 7.581 1.384 9.377 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.955 0.297 7.056 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.212 -0.607 7.876 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.339 0.142 10.910 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.248 -0.989 11.910 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.053 -1.255 6.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.871 -2.299 10.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.916 -2.503 6.610 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.822 -3.026 8.779 1.00 0.00 H new ATOM 642 N SER A 42 8.025 2.243 6.218 1.00 0.00 N ATOM 643 CA SER A 42 9.006 2.633 5.222 1.00 0.00 C ATOM 644 C SER A 42 9.899 3.751 5.770 1.00 0.00 C ATOM 645 O SER A 42 11.114 3.693 5.607 1.00 0.00 O ATOM 646 CB SER A 42 8.245 3.042 3.954 1.00 0.00 C ATOM 647 OG SER A 42 9.067 3.165 2.822 1.00 0.00 O ATOM 0 H SER A 42 7.064 2.383 5.906 1.00 0.00 H new ATOM 0 HA SER A 42 9.674 1.808 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.469 2.304 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.742 3.992 4.133 1.00 0.00 H new ATOM 0 HG SER A 42 8.523 3.425 2.049 1.00 0.00 H new ATOM 653 N ASP A 43 9.308 4.740 6.437 1.00 0.00 N ATOM 654 CA ASP A 43 9.964 5.911 7.003 1.00 0.00 C ATOM 655 C ASP A 43 10.868 5.535 8.177 1.00 0.00 C ATOM 656 O ASP A 43 11.978 6.052 8.306 1.00 0.00 O ATOM 657 CB ASP A 43 8.880 6.885 7.464 1.00 0.00 C ATOM 658 CG ASP A 43 9.464 8.140 8.081 1.00 0.00 C ATOM 659 OD1 ASP A 43 9.654 8.165 9.320 1.00 0.00 O ATOM 660 OD2 ASP A 43 9.625 9.110 7.312 1.00 0.00 O ATOM 0 H ASP A 43 8.302 4.743 6.605 1.00 0.00 H new ATOM 0 HA ASP A 43 10.597 6.371 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.253 7.157 6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.235 6.391 8.191 1.00 0.00 H new ATOM 665 N ALA A 44 10.405 4.605 9.018 1.00 0.00 N ATOM 666 CA ALA A 44 11.159 3.965 10.091 1.00 0.00 C ATOM 667 C ALA A 44 12.068 2.848 9.552 1.00 0.00 C ATOM 668 O ALA A 44 12.668 2.107 10.332 1.00 0.00 O ATOM 669 CB ALA A 44 10.183 3.446 11.153 1.00 0.00 C ATOM 0 H ALA A 44 9.445 4.264 8.963 1.00 0.00 H new ATOM 0 HA ALA A 44 11.819 4.700 10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.741 2.967 11.957 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.608 4.279 11.557 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.505 2.722 10.701 1.00 0.00 H new ATOM 675 N GLU A 45 12.198 2.733 8.229 1.00 0.00 N ATOM 676 CA GLU A 45 13.153 1.898 7.518 1.00 0.00 C ATOM 677 C GLU A 45 13.063 0.400 7.846 1.00 0.00 C ATOM 678 O GLU A 45 14.038 -0.335 7.662 1.00 0.00 O ATOM 679 CB GLU A 45 14.566 2.501 7.657 1.00 0.00 C ATOM 680 CG GLU A 45 14.728 3.907 7.041 1.00 0.00 C ATOM 681 CD GLU A 45 14.425 3.958 5.539 1.00 0.00 C ATOM 682 OE1 GLU A 45 14.344 2.888 4.898 1.00 0.00 O ATOM 683 OE2 GLU A 45 14.267 5.055 4.958 1.00 0.00 O ATOM 0 H GLU A 45 11.599 3.256 7.590 1.00 0.00 H new ATOM 0 HA GLU A 45 12.885 1.911 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.823 2.550 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.282 1.828 7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.066 4.600 7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.748 4.253 7.209 1.00 0.00 H new ATOM 690 N TYR A 46 11.879 -0.077 8.243 1.00 0.00 N ATOM 691 CA TYR A 46 11.549 -1.494 8.396 1.00 0.00 C ATOM 692 C TYR A 46 11.651 -2.282 7.076 1.00 0.00 C ATOM 693 O TYR A 46 11.456 -3.497 7.074 1.00 0.00 O ATOM 694 CB TYR A 46 10.106 -1.618 8.909 1.00 0.00 C ATOM 695 CG TYR A 46 9.934 -1.444 10.401 1.00 0.00 C ATOM 696 CD1 TYR A 46 10.124 -2.553 11.241 1.00 0.00 C ATOM 697 CD2 TYR A 46 9.556 -0.206 10.948 1.00 0.00 C ATOM 698 CE1 TYR A 46 9.954 -2.426 12.628 1.00 0.00 C ATOM 699 CE2 TYR A 46 9.368 -0.071 12.337 1.00 0.00 C ATOM 700 CZ TYR A 46 9.569 -1.187 13.185 1.00 0.00 C ATOM 701 OH TYR A 46 9.385 -1.091 14.531 1.00 0.00 O ATOM 0 H TYR A 46 11.098 0.536 8.474 1.00 0.00 H new ATOM 0 HA TYR A 46 12.271 -1.914 9.096 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.492 -0.875 8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.720 -2.598 8.627 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.402 -3.507 10.818 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.409 0.646 10.300 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.118 -3.278 13.271 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.072 0.880 12.754 1.00 0.00 H new ATOM 0 HH TYR A 46 9.123 -0.175 14.761 1.00 0.00 H new ATOM 711 N PHE A 47 11.871 -1.629 5.934 1.00 0.00 N ATOM 712 CA PHE A 47 11.602 -2.123 4.598 1.00 0.00 C ATOM 713 C PHE A 47 12.834 -1.887 3.720 1.00 0.00 C ATOM 714 O PHE A 47 13.855 -1.328 4.143 1.00 0.00 O ATOM 715 CB PHE A 47 10.328 -1.442 4.049 1.00 0.00 C ATOM 716 CG PHE A 47 8.977 -1.856 4.631 1.00 0.00 C ATOM 717 CD1 PHE A 47 8.777 -3.104 5.261 1.00 0.00 C ATOM 718 CD2 PHE A 47 7.868 -1.005 4.456 1.00 0.00 C ATOM 719 CE1 PHE A 47 7.501 -3.492 5.704 1.00 0.00 C ATOM 720 CE2 PHE A 47 6.590 -1.389 4.897 1.00 0.00 C ATOM 721 CZ PHE A 47 6.405 -2.634 5.524 1.00 0.00 C ATOM 0 H PHE A 47 12.264 -0.688 5.925 1.00 0.00 H new ATOM 0 HA PHE A 47 11.412 -3.196 4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.437 -0.367 4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.294 -1.617 2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.616 -3.769 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.001 -0.046 3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.364 -4.450 6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.749 -0.727 4.754 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.424 -2.929 5.866 1.00 0.00 H new ATOM 731 N THR A 48 12.767 -2.416 2.507 1.00 0.00 N ATOM 732 CA THR A 48 13.908 -2.613 1.634 1.00 0.00 C ATOM 733 C THR A 48 14.011 -1.417 0.687 1.00 0.00 C ATOM 734 O THR A 48 13.090 -0.604 0.561 1.00 0.00 O ATOM 735 CB THR A 48 13.732 -3.969 0.919 1.00 0.00 C ATOM 736 OG1 THR A 48 12.538 -3.949 0.175 1.00 0.00 O ATOM 737 CG2 THR A 48 13.660 -5.115 1.939 1.00 0.00 C ATOM 0 H THR A 48 11.889 -2.729 2.093 1.00 0.00 H new ATOM 0 HA THR A 48 14.851 -2.657 2.178 1.00 0.00 H new ATOM 0 HB THR A 48 14.588 -4.130 0.263 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.423 -4.808 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.536 -6.062 1.414 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.580 -5.141 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.812 -4.956 2.606 1.00 0.00 H new ATOM 745 N LYS A 49 15.141 -1.280 -0.004 1.00 0.00 N ATOM 746 CA LYS A 49 15.378 -0.111 -0.844 1.00 0.00 C ATOM 747 C LYS A 49 14.909 -0.341 -2.286 1.00 0.00 C ATOM 748 O LYS A 49 15.149 0.510 -3.134 1.00 0.00 O ATOM 749 CB LYS A 49 16.831 0.374 -0.680 1.00 0.00 C ATOM 750 CG LYS A 49 17.017 1.301 0.533 1.00 0.00 C ATOM 751 CD LYS A 49 16.931 0.650 1.925 1.00 0.00 C ATOM 752 CE LYS A 49 15.914 1.371 2.809 1.00 0.00 C ATOM 753 NZ LYS A 49 15.805 0.780 4.158 1.00 0.00 N ATOM 0 H LYS A 49 15.901 -1.960 0.002 1.00 0.00 H new ATOM 0 HA LYS A 49 14.758 0.720 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.488 -0.490 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.138 0.900 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 49 17.989 1.785 0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.263 2.087 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.650 -0.398 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.911 0.672 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.197 2.420 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.937 1.345 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.399 1.480 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.189 -0.057 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.749 0.501 4.492 1.00 0.00 H new ATOM 767 N GLN A 50 14.235 -1.459 -2.576 1.00 0.00 N ATOM 768 CA GLN A 50 13.310 -1.615 -3.696 1.00 0.00 C ATOM 769 C GLN A 50 12.150 -2.470 -3.172 1.00 0.00 C ATOM 770 O GLN A 50 12.018 -3.648 -3.514 1.00 0.00 O ATOM 771 CB GLN A 50 13.971 -2.248 -4.939 1.00 0.00 C ATOM 772 CG GLN A 50 14.882 -1.305 -5.742 1.00 0.00 C ATOM 773 CD GLN A 50 15.503 -1.983 -6.966 1.00 0.00 C ATOM 774 OE1 GLN A 50 14.955 -2.914 -7.553 1.00 0.00 O ATOM 775 NE2 GLN A 50 16.701 -1.592 -7.358 1.00 0.00 N ATOM 0 H GLN A 50 14.324 -2.307 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 50 12.965 -0.640 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 50 14.557 -3.111 -4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 50 13.187 -2.620 -5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 50 14.306 -0.438 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.677 -0.936 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.168 -0.821 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.160 -2.061 -8.139 1.00 0.00 H new ATOM 784 N PHE A 51 11.333 -1.897 -2.290 1.00 0.00 N ATOM 785 CA PHE A 51 10.150 -2.545 -1.738 1.00 0.00 C ATOM 786 C PHE A 51 8.965 -2.309 -2.669 1.00 0.00 C ATOM 787 O PHE A 51 8.805 -1.209 -3.212 1.00 0.00 O ATOM 788 CB PHE A 51 9.872 -1.953 -0.349 1.00 0.00 C ATOM 789 CG PHE A 51 8.853 -2.699 0.489 1.00 0.00 C ATOM 790 CD1 PHE A 51 9.264 -3.748 1.336 1.00 0.00 C ATOM 791 CD2 PHE A 51 7.505 -2.294 0.485 1.00 0.00 C ATOM 792 CE1 PHE A 51 8.340 -4.360 2.201 1.00 0.00 C ATOM 793 CE2 PHE A 51 6.584 -2.903 1.355 1.00 0.00 C ATOM 794 CZ PHE A 51 7.007 -3.918 2.230 1.00 0.00 C ATOM 0 H PHE A 51 11.479 -0.952 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 51 10.310 -3.619 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.811 -1.913 0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.531 -0.925 -0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.291 -4.082 1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.178 -1.515 -0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.655 -5.170 2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.550 -2.590 1.351 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.307 -4.358 2.925 1.00 0.00 H new ATOM 804 N ARG A 52 8.117 -3.324 -2.862 1.00 0.00 N ATOM 805 CA ARG A 52 6.936 -3.232 -3.705 1.00 0.00 C ATOM 806 C ARG A 52 5.676 -3.679 -2.976 1.00 0.00 C ATOM 807 O ARG A 52 5.763 -4.369 -1.962 1.00 0.00 O ATOM 808 CB ARG A 52 7.171 -4.028 -4.996 1.00 0.00 C ATOM 809 CG ARG A 52 8.181 -3.332 -5.920 1.00 0.00 C ATOM 810 CD ARG A 52 9.572 -3.972 -5.992 1.00 0.00 C ATOM 811 NE ARG A 52 10.326 -3.469 -7.162 1.00 0.00 N ATOM 812 CZ ARG A 52 11.591 -3.760 -7.501 1.00 0.00 C ATOM 813 NH1 ARG A 52 12.266 -4.740 -6.918 1.00 0.00 N ATOM 814 NH2 ARG A 52 12.206 -3.047 -8.431 1.00 0.00 N ATOM 0 H ARG A 52 8.239 -4.240 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 52 6.771 -2.186 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.534 -5.025 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.225 -4.155 -5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.763 -3.302 -6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.294 -2.299 -5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.124 -3.755 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.475 -5.056 -6.056 1.00 0.00 H new ATOM 0 HE ARG A 52 9.828 -2.829 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.825 -5.299 -6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.227 -4.935 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.718 -2.277 -8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.168 -3.267 -8.690 1.00 0.00 H new ATOM 828 N VAL A 53 4.520 -3.267 -3.498 1.00 0.00 N ATOM 829 CA VAL A 53 3.190 -3.489 -2.935 1.00 0.00 C ATOM 830 C VAL A 53 2.196 -3.715 -4.075 1.00 0.00 C ATOM 831 O VAL A 53 2.419 -3.200 -5.174 1.00 0.00 O ATOM 832 CB VAL A 53 2.772 -2.271 -2.079 1.00 0.00 C ATOM 833 CG1 VAL A 53 3.640 -2.170 -0.824 1.00 0.00 C ATOM 834 CG2 VAL A 53 2.845 -0.917 -2.813 1.00 0.00 C ATOM 0 H VAL A 53 4.486 -2.742 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 53 3.201 -4.370 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 53 1.727 -2.456 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.330 -1.307 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.525 -3.075 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.685 -2.056 -1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.535 -0.120 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.868 -0.736 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.184 -0.937 -3.679 1.00 0.00 H new ATOM 844 N TRP A 54 1.100 -4.435 -3.822 1.00 0.00 N ATOM 845 CA TRP A 54 0.017 -4.627 -4.789 1.00 0.00 C ATOM 846 C TRP A 54 -1.323 -4.777 -4.082 1.00 0.00 C ATOM 847 O TRP A 54 -1.358 -5.148 -2.907 1.00 0.00 O ATOM 848 CB TRP A 54 0.275 -5.885 -5.639 1.00 0.00 C ATOM 849 CG TRP A 54 0.266 -7.209 -4.927 1.00 0.00 C ATOM 850 CD1 TRP A 54 -0.755 -8.094 -4.937 1.00 0.00 C ATOM 851 CD2 TRP A 54 1.307 -7.828 -4.111 1.00 0.00 C ATOM 852 NE1 TRP A 54 -0.422 -9.201 -4.189 1.00 0.00 N ATOM 853 CE2 TRP A 54 0.828 -9.083 -3.635 1.00 0.00 C ATOM 854 CE3 TRP A 54 2.613 -7.464 -3.728 1.00 0.00 C ATOM 855 CZ2 TRP A 54 1.588 -9.914 -2.800 1.00 0.00 C ATOM 856 CZ3 TRP A 54 3.389 -8.304 -2.911 1.00 0.00 C ATOM 857 CH2 TRP A 54 2.883 -9.528 -2.439 1.00 0.00 C ATOM 0 H TRP A 54 0.938 -4.905 -2.932 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.013 -3.747 -5.432 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.477 -5.920 -6.427 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.243 -5.770 -6.127 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.693 -7.954 -5.455 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.030 -10.010 -4.062 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.024 -6.525 -4.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.177 -10.845 -2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.391 -8.004 -2.641 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.486 -10.162 -1.806 1.00 0.00 H new ATOM 868 N MET A 55 -2.411 -4.496 -4.803 1.00 0.00 N ATOM 869 CA MET A 55 -3.748 -4.492 -4.218 1.00 0.00 C ATOM 870 C MET A 55 -4.247 -5.891 -3.919 1.00 0.00 C ATOM 871 O MET A 55 -3.747 -6.904 -4.409 1.00 0.00 O ATOM 872 CB MET A 55 -4.740 -3.676 -5.070 1.00 0.00 C ATOM 873 CG MET A 55 -4.387 -2.194 -5.144 1.00 0.00 C ATOM 874 SD MET A 55 -5.372 -1.248 -6.323 1.00 0.00 S ATOM 875 CE MET A 55 -4.256 0.165 -6.374 1.00 0.00 C ATOM 0 H MET A 55 -2.389 -4.268 -5.797 1.00 0.00 H new ATOM 0 HA MET A 55 -3.676 -3.987 -3.255 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.767 -4.088 -6.079 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.742 -3.784 -4.654 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.508 -1.755 -4.154 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.334 -2.097 -5.409 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.615 0.886 -7.108 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.220 0.635 -5.391 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.257 -0.170 -6.653 1.00 0.00 H new ATOM 885 N THR A 56 -5.265 -5.952 -3.076 1.00 0.00 N ATOM 886 CA THR A 56 -5.938 -7.188 -2.790 1.00 0.00 C ATOM 887 C THR A 56 -6.512 -7.757 -4.095 1.00 0.00 C ATOM 888 O THR A 56 -7.203 -7.051 -4.832 1.00 0.00 O ATOM 889 CB THR A 56 -6.973 -6.931 -1.699 1.00 0.00 C ATOM 890 OG1 THR A 56 -7.877 -5.888 -2.014 1.00 0.00 O ATOM 891 CG2 THR A 56 -6.345 -6.522 -0.371 1.00 0.00 C ATOM 0 H THR A 56 -5.639 -5.145 -2.578 1.00 0.00 H new ATOM 0 HA THR A 56 -5.262 -7.950 -2.403 1.00 0.00 H new ATOM 0 HB THR A 56 -7.490 -7.888 -1.623 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.021 -5.861 -2.983 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.130 -6.353 0.366 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.684 -7.315 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.771 -5.605 -0.507 1.00 0.00 H new ATOM 899 N GLY A 57 -6.202 -9.014 -4.403 1.00 0.00 N ATOM 900 CA GLY A 57 -6.657 -9.704 -5.602 1.00 0.00 C ATOM 901 C GLY A 57 -5.739 -9.485 -6.802 1.00 0.00 C ATOM 902 O GLY A 57 -5.771 -10.296 -7.729 1.00 0.00 O ATOM 0 H GLY A 57 -5.611 -9.594 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.727 -10.772 -5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.661 -9.361 -5.853 1.00 0.00 H new ATOM 906 N GLU A 58 -4.875 -8.466 -6.787 1.00 0.00 N ATOM 907 CA GLU A 58 -3.927 -8.228 -7.867 1.00 0.00 C ATOM 908 C GLU A 58 -2.891 -9.351 -7.922 1.00 0.00 C ATOM 909 O GLU A 58 -2.726 -10.140 -6.977 1.00 0.00 O ATOM 910 CB GLU A 58 -3.233 -6.861 -7.700 1.00 0.00 C ATOM 911 CG GLU A 58 -4.101 -5.707 -8.205 1.00 0.00 C ATOM 912 CD GLU A 58 -4.209 -5.780 -9.723 1.00 0.00 C ATOM 913 OE1 GLU A 58 -3.154 -5.606 -10.383 1.00 0.00 O ATOM 914 OE2 GLU A 58 -5.306 -6.089 -10.217 1.00 0.00 O ATOM 0 H GLU A 58 -4.817 -7.788 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.478 -8.215 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.996 -6.702 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.288 -6.867 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.093 -5.760 -7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.667 -4.753 -7.906 1.00 0.00 H new ATOM 921 N SER A 59 -2.172 -9.415 -9.041 1.00 0.00 N ATOM 922 CA SER A 59 -0.971 -10.213 -9.140 1.00 0.00 C ATOM 923 C SER A 59 0.159 -9.468 -8.440 1.00 0.00 C ATOM 924 O SER A 59 0.280 -8.247 -8.558 1.00 0.00 O ATOM 925 CB SER A 59 -0.638 -10.457 -10.613 1.00 0.00 C ATOM 926 OG SER A 59 0.296 -11.509 -10.709 1.00 0.00 O ATOM 0 H SER A 59 -2.412 -8.914 -9.897 1.00 0.00 H new ATOM 0 HA SER A 59 -1.112 -11.182 -8.662 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.543 -10.707 -11.166 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.230 -9.551 -11.061 1.00 0.00 H new ATOM 0 HG SER A 59 0.511 -11.670 -11.651 1.00 0.00 H new ATOM 932 N MET A 60 1.055 -10.220 -7.805 1.00 0.00 N ATOM 933 CA MET A 60 2.315 -9.691 -7.313 1.00 0.00 C ATOM 934 C MET A 60 3.145 -9.092 -8.446 1.00 0.00 C ATOM 935 O MET A 60 3.909 -8.156 -8.238 1.00 0.00 O ATOM 936 CB MET A 60 3.092 -10.830 -6.664 1.00 0.00 C ATOM 937 CG MET A 60 4.285 -10.287 -5.880 1.00 0.00 C ATOM 938 SD MET A 60 5.312 -11.528 -5.048 1.00 0.00 S ATOM 939 CE MET A 60 4.094 -12.280 -3.936 1.00 0.00 C ATOM 0 H MET A 60 0.923 -11.214 -7.619 1.00 0.00 H new ATOM 0 HA MET A 60 2.110 -8.899 -6.592 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.437 -11.391 -5.998 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.438 -11.524 -7.430 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.916 -9.719 -6.563 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.915 -9.587 -5.131 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.382 -12.093 -2.901 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.112 -11.845 -4.124 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.054 -13.355 -4.113 1.00 0.00 H new ATOM 949 N GLU A 61 3.022 -9.636 -9.651 1.00 0.00 N ATOM 950 CA GLU A 61 3.712 -9.110 -10.822 1.00 0.00 C ATOM 951 C GLU A 61 3.040 -7.850 -11.389 1.00 0.00 C ATOM 952 O GLU A 61 3.642 -7.176 -12.221 1.00 0.00 O ATOM 953 CB GLU A 61 3.890 -10.213 -11.860 1.00 0.00 C ATOM 954 CG GLU A 61 5.083 -11.098 -11.450 1.00 0.00 C ATOM 955 CD GLU A 61 5.435 -12.194 -12.461 1.00 0.00 C ATOM 956 OE1 GLU A 61 5.102 -12.073 -13.666 1.00 0.00 O ATOM 957 OE2 GLU A 61 6.091 -13.180 -12.040 1.00 0.00 O ATOM 0 H GLU A 61 2.442 -10.453 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 61 4.704 -8.780 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.983 -10.813 -11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.064 -9.779 -12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.957 -10.463 -11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.861 -11.564 -10.490 1.00 0.00 H new ATOM 964 N SER A 62 1.857 -7.467 -10.909 1.00 0.00 N ATOM 965 CA SER A 62 1.300 -6.143 -11.112 1.00 0.00 C ATOM 966 C SER A 62 1.666 -5.190 -9.957 1.00 0.00 C ATOM 967 O SER A 62 1.100 -4.092 -9.898 1.00 0.00 O ATOM 968 CB SER A 62 -0.219 -6.258 -11.266 1.00 0.00 C ATOM 969 OG SER A 62 -0.605 -6.980 -12.419 1.00 0.00 O ATOM 0 H SER A 62 1.255 -8.082 -10.361 1.00 0.00 H new ATOM 0 HA SER A 62 1.727 -5.717 -12.020 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.632 -6.746 -10.383 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.651 -5.258 -11.309 1.00 0.00 H new ATOM 0 HG SER A 62 -1.583 -7.023 -12.466 1.00 0.00 H new ATOM 975 N ALA A 63 2.548 -5.587 -9.023 1.00 0.00 N ATOM 976 CA ALA A 63 2.997 -4.727 -7.929 1.00 0.00 C ATOM 977 C ALA A 63 3.775 -3.526 -8.455 1.00 0.00 C ATOM 978 O ALA A 63 4.275 -3.528 -9.582 1.00 0.00 O ATOM 979 CB ALA A 63 3.878 -5.501 -6.930 1.00 0.00 C ATOM 0 H ALA A 63 2.967 -6.517 -9.011 1.00 0.00 H new ATOM 0 HA ALA A 63 2.102 -4.377 -7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.194 -4.832 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.308 -6.328 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.756 -5.891 -7.445 1.00 0.00 H new ATOM 985 N VAL A 64 3.942 -2.534 -7.587 1.00 0.00 N ATOM 986 CA VAL A 64 4.587 -1.268 -7.888 1.00 0.00 C ATOM 987 C VAL A 64 5.544 -0.898 -6.769 1.00 0.00 C ATOM 988 O VAL A 64 5.436 -1.419 -5.657 1.00 0.00 O ATOM 989 CB VAL A 64 3.515 -0.187 -8.088 1.00 0.00 C ATOM 990 CG1 VAL A 64 2.711 -0.487 -9.347 1.00 0.00 C ATOM 991 CG2 VAL A 64 2.540 -0.056 -6.911 1.00 0.00 C ATOM 0 H VAL A 64 3.619 -2.595 -6.621 1.00 0.00 H new ATOM 0 HA VAL A 64 5.165 -1.354 -8.808 1.00 0.00 H new ATOM 0 HB VAL A 64 4.053 0.757 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.951 0.282 -9.485 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.377 -0.499 -10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.229 -1.459 -9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.813 0.727 -7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.020 -1.003 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.093 0.201 -6.007 1.00 0.00 H new ATOM 1001 N LEU A 65 6.483 0.006 -7.052 1.00 0.00 N ATOM 1002 CA LEU A 65 7.418 0.512 -6.063 1.00 0.00 C ATOM 1003 C LEU A 65 6.650 1.361 -5.076 1.00 0.00 C ATOM 1004 O LEU A 65 6.006 2.339 -5.463 1.00 0.00 O ATOM 1005 CB LEU A 65 8.535 1.318 -6.731 1.00 0.00 C ATOM 1006 CG LEU A 65 9.563 0.388 -7.399 1.00 0.00 C ATOM 1007 CD1 LEU A 65 10.233 1.135 -8.546 1.00 0.00 C ATOM 1008 CD2 LEU A 65 10.614 -0.102 -6.393 1.00 0.00 C ATOM 0 H LEU A 65 6.612 0.406 -7.981 1.00 0.00 H new ATOM 0 HA LEU A 65 7.893 -0.319 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.108 1.989 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.032 1.942 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 65 9.045 -0.492 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.964 0.484 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.480 1.434 -9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.736 2.021 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.324 -0.756 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.144 0.754 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.121 -0.652 -5.591 1.00 0.00 H new ATOM 1020 N LEU A 66 6.764 1.007 -3.797 1.00 0.00 N ATOM 1021 CA LEU A 66 6.158 1.769 -2.708 1.00 0.00 C ATOM 1022 C LEU A 66 6.552 3.249 -2.776 1.00 0.00 C ATOM 1023 O LEU A 66 5.734 4.103 -2.448 1.00 0.00 O ATOM 1024 CB LEU A 66 6.529 1.134 -1.356 1.00 0.00 C ATOM 1025 CG LEU A 66 6.028 1.908 -0.115 1.00 0.00 C ATOM 1026 CD1 LEU A 66 4.507 2.117 -0.119 1.00 0.00 C ATOM 1027 CD2 LEU A 66 6.406 1.142 1.155 1.00 0.00 C ATOM 0 H LEU A 66 7.280 0.183 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 66 5.074 1.732 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.125 0.122 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.614 1.046 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 66 6.504 2.888 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.213 2.666 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.220 2.685 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.007 1.149 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.052 1.689 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.946 0.154 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.490 1.037 1.207 1.00 0.00 H new ATOM 1039 N THR A 67 7.750 3.572 -3.266 1.00 0.00 N ATOM 1040 CA THR A 67 8.232 4.944 -3.352 1.00 0.00 C ATOM 1041 C THR A 67 7.335 5.781 -4.280 1.00 0.00 C ATOM 1042 O THR A 67 6.974 6.922 -3.982 1.00 0.00 O ATOM 1043 CB THR A 67 9.695 4.919 -3.839 1.00 0.00 C ATOM 1044 OG1 THR A 67 9.791 4.365 -5.141 1.00 0.00 O ATOM 1045 CG2 THR A 67 10.601 4.092 -2.926 1.00 0.00 C ATOM 0 H THR A 67 8.414 2.882 -3.616 1.00 0.00 H new ATOM 0 HA THR A 67 8.192 5.416 -2.370 1.00 0.00 H new ATOM 0 HB THR A 67 10.023 5.959 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.728 4.362 -5.427 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.620 4.107 -3.314 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.589 4.515 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.241 3.064 -2.891 1.00 0.00 H new ATOM 1053 N ASP A 68 6.923 5.186 -5.403 1.00 0.00 N ATOM 1054 CA ASP A 68 6.098 5.852 -6.401 1.00 0.00 C ATOM 1055 C ASP A 68 4.688 6.041 -5.858 1.00 0.00 C ATOM 1056 O ASP A 68 4.071 7.074 -6.092 1.00 0.00 O ATOM 1057 CB ASP A 68 6.083 5.058 -7.719 1.00 0.00 C ATOM 1058 CG ASP A 68 6.463 5.958 -8.885 1.00 0.00 C ATOM 1059 OD1 ASP A 68 7.647 6.385 -8.957 1.00 0.00 O ATOM 1060 OD2 ASP A 68 5.604 6.311 -9.717 1.00 0.00 O ATOM 0 H ASP A 68 7.157 4.222 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 68 6.524 6.832 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.779 4.222 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.092 4.636 -7.885 1.00 0.00 H new ATOM 1065 N VAL A 69 4.187 5.070 -5.094 1.00 0.00 N ATOM 1066 CA VAL A 69 2.887 5.137 -4.434 1.00 0.00 C ATOM 1067 C VAL A 69 2.911 6.170 -3.294 1.00 0.00 C ATOM 1068 O VAL A 69 1.903 6.826 -3.021 1.00 0.00 O ATOM 1069 CB VAL A 69 2.504 3.723 -3.955 1.00 0.00 C ATOM 1070 CG1 VAL A 69 1.124 3.692 -3.304 1.00 0.00 C ATOM 1071 CG2 VAL A 69 2.467 2.731 -5.125 1.00 0.00 C ATOM 0 H VAL A 69 4.685 4.198 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 69 2.121 5.477 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 69 3.267 3.442 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.896 2.676 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.114 4.357 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.375 4.021 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.194 1.743 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.731 3.060 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.450 2.684 -5.594 1.00 0.00 H new ATOM 1081 N LEU A 70 4.056 6.367 -2.637 1.00 0.00 N ATOM 1082 CA LEU A 70 4.297 7.457 -1.696 1.00 0.00 C ATOM 1083 C LEU A 70 4.086 8.797 -2.395 1.00 0.00 C ATOM 1084 O LEU A 70 3.327 9.626 -1.893 1.00 0.00 O ATOM 1085 CB LEU A 70 5.697 7.319 -1.085 1.00 0.00 C ATOM 1086 CG LEU A 70 5.732 7.002 0.411 1.00 0.00 C ATOM 1087 CD1 LEU A 70 4.756 5.907 0.825 1.00 0.00 C ATOM 1088 CD2 LEU A 70 7.136 6.529 0.746 1.00 0.00 C ATOM 0 H LEU A 70 4.863 5.753 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 70 3.584 7.408 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.232 6.533 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.242 8.247 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 70 5.445 7.907 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.836 5.735 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.739 6.215 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.994 4.987 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.197 6.294 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.369 5.638 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.852 7.316 0.507 1.00 0.00 H new ATOM 1100 N ARG A 71 4.711 8.990 -3.564 1.00 0.00 N ATOM 1101 CA ARG A 71 4.534 10.180 -4.392 1.00 0.00 C ATOM 1102 C ARG A 71 3.072 10.359 -4.810 1.00 0.00 C ATOM 1103 O ARG A 71 2.562 11.466 -4.686 1.00 0.00 O ATOM 1104 CB ARG A 71 5.503 10.104 -5.588 1.00 0.00 C ATOM 1105 CG ARG A 71 5.264 11.178 -6.656 1.00 0.00 C ATOM 1106 CD ARG A 71 6.564 11.634 -7.331 1.00 0.00 C ATOM 1107 NE ARG A 71 7.258 12.640 -6.512 1.00 0.00 N ATOM 1108 CZ ARG A 71 8.439 13.207 -6.773 1.00 0.00 C ATOM 1109 NH1 ARG A 71 9.155 12.853 -7.838 1.00 0.00 N ATOM 1110 NH2 ARG A 71 8.909 14.139 -5.955 1.00 0.00 N ATOM 0 H ARG A 71 5.361 8.312 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 71 4.779 11.072 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.525 10.194 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.416 9.121 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.583 10.788 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.775 12.038 -6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.217 10.775 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.341 12.050 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 71 6.789 12.935 -5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.804 12.136 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.054 13.299 -8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.370 14.417 -5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.810 14.578 -6.146 1.00 0.00 H new ATOM 1124 N LEU A 72 2.408 9.303 -5.290 1.00 0.00 N ATOM 1125 CA LEU A 72 1.039 9.377 -5.812 1.00 0.00 C ATOM 1126 C LEU A 72 0.040 9.756 -4.715 1.00 0.00 C ATOM 1127 O LEU A 72 -0.847 10.571 -4.949 1.00 0.00 O ATOM 1128 CB LEU A 72 0.641 8.045 -6.480 1.00 0.00 C ATOM 1129 CG LEU A 72 1.399 7.774 -7.796 1.00 0.00 C ATOM 1130 CD1 LEU A 72 1.295 6.306 -8.218 1.00 0.00 C ATOM 1131 CD2 LEU A 72 0.926 8.662 -8.946 1.00 0.00 C ATOM 0 H LEU A 72 2.808 8.365 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 72 1.012 10.164 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.829 7.227 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.430 8.053 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 72 2.441 8.016 -7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.842 6.155 -9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.722 5.673 -7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.248 6.043 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.495 8.426 -9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.134 8.485 -9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.079 9.709 -8.684 1.00 0.00 H new ATOM 1143 N SER A 73 0.171 9.192 -3.511 1.00 0.00 N ATOM 1144 CA SER A 73 -0.645 9.596 -2.365 1.00 0.00 C ATOM 1145 C SER A 73 -0.347 11.055 -1.979 1.00 0.00 C ATOM 1146 O SER A 73 -1.258 11.807 -1.609 1.00 0.00 O ATOM 1147 CB SER A 73 -0.361 8.629 -1.212 1.00 0.00 C ATOM 1148 OG SER A 73 -1.181 8.851 -0.084 1.00 0.00 O ATOM 0 H SER A 73 0.839 8.450 -3.305 1.00 0.00 H new ATOM 0 HA SER A 73 -1.705 9.550 -2.615 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.504 7.606 -1.561 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.684 8.723 -0.917 1.00 0.00 H new ATOM 0 HG SER A 73 -0.955 8.204 0.617 1.00 0.00 H new ATOM 1154 N GLY A 74 0.912 11.484 -2.109 1.00 0.00 N ATOM 1155 CA GLY A 74 1.377 12.800 -1.700 1.00 0.00 C ATOM 1156 C GLY A 74 1.618 12.852 -0.188 1.00 0.00 C ATOM 1157 O GLY A 74 1.503 11.830 0.494 1.00 0.00 O ATOM 0 H GLY A 74 1.650 10.906 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.299 13.044 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.641 13.553 -1.981 1.00 0.00 H new ATOM 1161 N PRO A 75 2.004 14.016 0.355 1.00 0.00 N ATOM 1162 CA PRO A 75 2.326 14.150 1.765 1.00 0.00 C ATOM 1163 C PRO A 75 1.073 14.001 2.630 1.00 0.00 C ATOM 1164 O PRO A 75 0.195 14.873 2.626 1.00 0.00 O ATOM 1165 CB PRO A 75 2.988 15.525 1.910 1.00 0.00 C ATOM 1166 CG PRO A 75 2.421 16.325 0.742 1.00 0.00 C ATOM 1167 CD PRO A 75 2.261 15.264 -0.343 1.00 0.00 C ATOM 0 HA PRO A 75 3.001 13.366 2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.745 15.987 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.074 15.454 1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.469 16.792 0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.096 17.123 0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.439 15.513 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.161 15.192 -0.954 1.00 0.00 H new ATOM 1175 N SER A 76 0.990 12.914 3.389 1.00 0.00 N ATOM 1176 CA SER A 76 0.164 12.796 4.578 1.00 0.00 C ATOM 1177 C SER A 76 0.838 11.795 5.518 1.00 0.00 C ATOM 1178 O SER A 76 1.574 10.923 5.051 1.00 0.00 O ATOM 1179 CB SER A 76 -1.280 12.397 4.220 1.00 0.00 C ATOM 1180 OG SER A 76 -1.398 11.407 3.208 1.00 0.00 O ATOM 0 H SER A 76 1.515 12.064 3.184 1.00 0.00 H new ATOM 0 HA SER A 76 0.081 13.758 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.774 12.034 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.818 13.289 3.899 1.00 0.00 H new ATOM 0 HG SER A 76 -1.906 10.644 3.555 1.00 0.00 H new ATOM 1186 N SER A 77 0.556 11.933 6.815 1.00 0.00 N ATOM 1187 CA SER A 77 0.989 11.098 7.927 1.00 0.00 C ATOM 1188 C SER A 77 2.353 10.438 7.724 1.00 0.00 C ATOM 1189 O SER A 77 2.461 9.239 7.441 1.00 0.00 O ATOM 1190 CB SER A 77 -0.138 10.135 8.294 1.00 0.00 C ATOM 1191 OG SER A 77 -0.929 10.760 9.288 1.00 0.00 O ATOM 0 H SER A 77 -0.033 12.701 7.138 1.00 0.00 H new ATOM 0 HA SER A 77 1.177 11.740 8.788 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.741 9.899 7.417 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.268 9.194 8.664 1.00 0.00 H new ATOM 0 HG SER A 77 -1.664 10.164 9.543 1.00 0.00 H new ATOM 1197 N GLY A 78 3.390 11.248 7.921 1.00 0.00 N ATOM 1198 CA GLY A 78 4.783 10.861 7.894 1.00 0.00 C ATOM 1199 C GLY A 78 5.531 12.096 7.467 1.00 0.00 C ATOM 1200 O GLY A 78 5.982 12.835 8.360 1.00 0.00 O ATOM 0 H GLY A 78 3.266 12.242 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.115 10.519 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.950 10.040 7.197 1.00 0.00 H new TER 1204 GLY A 78