USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 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 22 ASN : amide:sc= -0.375 K(o=-2.6,f=-3.4!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.17 X(o=-2.6,f=-2.4) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 140:sc= 0.0464 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.203 X(o=-0.2,f=0.11) USER MOD Single : A 11 TYR OH : rot 119:sc= -0.871 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= -0.0706 (180deg=-0.494) USER MOD Single : A 17 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.6) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.63) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= 0.977 (180deg=0.773) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 36 SER OG : rot 152:sc= -0.208 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.44 K(o=-2.4,f=-15!) USER MOD Single : A 48 GLN : amide:sc= -0.978 K(o=-0.98,f=-0.058) USER MOD Single : A 53 TYR OH : rot 53:sc= 0.336 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -0.741 -0.146 -2.580 1.00 0.00 N ATOM 2 CA GLN A 1 0.440 0.088 -1.757 1.00 0.00 C ATOM 3 C GLN A 1 1.715 -0.082 -2.575 1.00 0.00 C ATOM 4 O GLN A 1 1.757 -0.868 -3.523 1.00 0.00 O ATOM 5 CB GLN A 1 0.454 -0.869 -0.564 1.00 0.00 C ATOM 6 CG GLN A 1 -0.166 -0.281 0.694 1.00 0.00 C ATOM 7 CD GLN A 1 0.523 -0.755 1.959 1.00 0.00 C ATOM 8 OE1 GLN A 1 1.646 -0.347 2.258 1.00 0.00 O ATOM 9 NE2 GLN A 1 -0.148 -1.619 2.711 1.00 0.00 N ATOM 0 H1 GLN A 1 -1.447 -0.678 -2.031 1.00 0.00 H new ATOM 0 H2 GLN A 1 -1.146 0.766 -2.874 1.00 0.00 H new ATOM 0 H3 GLN A 1 -0.474 -0.693 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 1 0.399 1.114 -1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -0.082 -1.779 -0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 1 1.484 -1.157 -0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -0.118 0.807 0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -1.221 -0.552 0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -1.076 -1.930 2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 1 0.265 -1.971 3.575 1.00 0.00 H new ATOM 18 N ASP A 2 2.754 0.658 -2.204 1.00 0.00 N ATOM 19 CA ASP A 2 4.032 0.589 -2.903 1.00 0.00 C ATOM 20 C ASP A 2 5.184 0.431 -1.916 1.00 0.00 C ATOM 21 O ASP A 2 5.938 1.372 -1.670 1.00 0.00 O ATOM 22 CB ASP A 2 4.241 1.843 -3.753 1.00 0.00 C ATOM 23 CG ASP A 2 3.945 3.117 -2.988 1.00 0.00 C ATOM 24 OD1 ASP A 2 2.756 3.385 -2.719 1.00 0.00 O ATOM 25 OD2 ASP A 2 4.904 3.848 -2.658 1.00 0.00 O ATOM 0 H ASP A 2 2.736 1.313 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 2 4.014 -0.284 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.270 1.868 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.599 1.793 -4.632 1.00 0.00 H new ATOM 30 N LYS A 3 5.312 -0.765 -1.351 1.00 0.00 N ATOM 31 CA LYS A 3 6.372 -1.048 -0.390 1.00 0.00 C ATOM 32 C LYS A 3 7.279 -2.166 -0.894 1.00 0.00 C ATOM 33 O LYS A 3 8.157 -2.640 -0.172 1.00 0.00 O ATOM 34 CB LYS A 3 5.771 -1.435 0.963 1.00 0.00 C ATOM 35 CG LYS A 3 5.157 -2.824 0.981 1.00 0.00 C ATOM 36 CD LYS A 3 4.549 -3.147 2.336 1.00 0.00 C ATOM 37 CE LYS A 3 4.593 -4.640 2.624 1.00 0.00 C ATOM 38 NZ LYS A 3 4.366 -4.933 4.066 1.00 0.00 N ATOM 0 H LYS A 3 4.695 -1.554 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 3 6.971 -0.145 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.548 -1.381 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.007 -0.706 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.389 -2.893 0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.920 -3.563 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.088 -2.609 3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.516 -2.800 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.836 -5.148 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.560 -5.040 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.404 -5.961 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.103 -4.470 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.432 -4.574 4.350 1.00 0.00 H new ATOM 52 N CYS A 4 7.063 -2.583 -2.137 1.00 0.00 N ATOM 53 CA CYS A 4 7.861 -3.644 -2.738 1.00 0.00 C ATOM 54 C CYS A 4 8.635 -3.125 -3.947 1.00 0.00 C ATOM 55 O CYS A 4 8.113 -2.347 -4.746 1.00 0.00 O ATOM 56 CB CYS A 4 6.964 -4.811 -3.156 1.00 0.00 C ATOM 57 SG CYS A 4 5.483 -5.019 -2.117 1.00 0.00 S ATOM 0 H CYS A 4 6.341 -2.201 -2.748 1.00 0.00 H new ATOM 0 HA CYS A 4 8.576 -3.992 -1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.652 -4.663 -4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.547 -5.732 -3.128 1.00 0.00 H new ATOM 62 N LYS A 5 9.884 -3.560 -4.074 1.00 0.00 N ATOM 63 CA LYS A 5 10.731 -3.142 -5.184 1.00 0.00 C ATOM 64 C LYS A 5 11.973 -4.022 -5.282 1.00 0.00 C ATOM 65 O LYS A 5 12.255 -4.819 -4.387 1.00 0.00 O ATOM 66 CB LYS A 5 11.143 -1.678 -5.015 1.00 0.00 C ATOM 67 CG LYS A 5 12.203 -1.463 -3.949 1.00 0.00 C ATOM 68 CD LYS A 5 11.701 -0.555 -2.839 1.00 0.00 C ATOM 69 CE LYS A 5 12.773 0.428 -2.395 1.00 0.00 C ATOM 70 NZ LYS A 5 13.877 -0.250 -1.660 1.00 0.00 N ATOM 0 H LYS A 5 10.332 -4.203 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 5 10.158 -3.248 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.516 -1.302 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.262 -1.088 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.498 -2.424 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.093 -1.027 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.824 -0.007 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.385 -1.159 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.179 0.941 -3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.325 1.190 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.587 0.454 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.494 -0.719 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.321 -0.959 -2.278 1.00 0.00 H new ATOM 84 N LYS A 6 12.714 -3.872 -6.375 1.00 0.00 N ATOM 85 CA LYS A 6 13.928 -4.650 -6.590 1.00 0.00 C ATOM 86 C LYS A 6 14.981 -3.826 -7.323 1.00 0.00 C ATOM 87 O LYS A 6 14.807 -3.476 -8.491 1.00 0.00 O ATOM 88 CB LYS A 6 13.612 -5.918 -7.386 1.00 0.00 C ATOM 89 CG LYS A 6 12.840 -6.958 -6.593 1.00 0.00 C ATOM 90 CD LYS A 6 12.822 -8.301 -7.303 1.00 0.00 C ATOM 91 CE LYS A 6 13.983 -9.180 -6.864 1.00 0.00 C ATOM 92 NZ LYS A 6 13.529 -10.541 -6.465 1.00 0.00 N ATOM 0 H LYS A 6 12.494 -3.218 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 6 14.326 -4.930 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.036 -5.647 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.545 -6.359 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.290 -7.073 -5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.817 -6.614 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.881 -8.810 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.870 -8.145 -8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.704 -9.262 -7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.498 -8.709 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.350 -11.109 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.860 -10.465 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.060 -11.001 -7.271 1.00 0.00 H new ATOM 106 N VAL A 7 16.074 -3.519 -6.632 1.00 0.00 N ATOM 107 CA VAL A 7 17.156 -2.738 -7.219 1.00 0.00 C ATOM 108 C VAL A 7 17.861 -3.518 -8.323 1.00 0.00 C ATOM 109 O VAL A 7 18.080 -4.724 -8.203 1.00 0.00 O ATOM 110 CB VAL A 7 18.191 -2.325 -6.156 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.368 -1.612 -6.805 1.00 0.00 C ATOM 112 CG2 VAL A 7 17.545 -1.447 -5.095 1.00 0.00 C ATOM 0 H VAL A 7 16.234 -3.799 -5.664 1.00 0.00 H new ATOM 0 HA VAL A 7 16.705 -1.841 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 7 18.565 -3.226 -5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.089 -1.328 -6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.846 -2.278 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.014 -0.718 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.291 -1.165 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.141 -0.549 -5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.739 -1.997 -4.609 1.00 0.00 H new ATOM 122 N TYR A 8 18.214 -2.823 -9.398 1.00 0.00 N ATOM 123 CA TYR A 8 18.893 -3.450 -10.526 1.00 0.00 C ATOM 124 C TYR A 8 20.313 -2.914 -10.674 1.00 0.00 C ATOM 125 O TYR A 8 20.580 -2.058 -11.516 1.00 0.00 O ATOM 126 CB TYR A 8 18.109 -3.212 -11.817 1.00 0.00 C ATOM 127 CG TYR A 8 18.507 -4.135 -12.946 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.816 -5.468 -12.705 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.575 -3.674 -14.255 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.181 -6.314 -13.734 1.00 0.00 C ATOM 131 CE2 TYR A 8 18.938 -4.513 -15.291 1.00 0.00 C ATOM 132 CZ TYR A 8 19.241 -5.832 -15.025 1.00 0.00 C ATOM 133 OH TYR A 8 19.603 -6.672 -16.053 1.00 0.00 O ATOM 0 H TYR A 8 18.041 -1.824 -9.512 1.00 0.00 H new ATOM 0 HA TYR A 8 18.947 -4.522 -10.334 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.045 -3.337 -11.614 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.254 -2.179 -12.135 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.770 -5.849 -11.696 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.340 -2.641 -14.466 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.418 -7.347 -13.529 1.00 0.00 H new ATOM 0 HE2 TYR A 8 18.984 -4.138 -16.303 1.00 0.00 H new ATOM 0 HH TYR A 8 19.595 -6.177 -16.899 1.00 0.00 H new ATOM 143 N GLU A 9 21.221 -3.425 -9.848 1.00 0.00 N ATOM 144 CA GLU A 9 22.615 -2.998 -9.887 1.00 0.00 C ATOM 145 C GLU A 9 23.208 -3.201 -11.278 1.00 0.00 C ATOM 146 O GLU A 9 24.204 -2.575 -11.637 1.00 0.00 O ATOM 147 CB GLU A 9 23.437 -3.769 -8.853 1.00 0.00 C ATOM 148 CG GLU A 9 22.845 -3.733 -7.454 1.00 0.00 C ATOM 149 CD GLU A 9 23.727 -4.418 -6.429 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.598 -3.739 -5.846 1.00 0.00 O ATOM 151 OE2 GLU A 9 23.545 -5.634 -6.209 1.00 0.00 O ATOM 0 H GLU A 9 21.016 -4.135 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 9 22.649 -1.935 -9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.527 -4.807 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.445 -3.356 -8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.687 -2.696 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.867 -4.214 -7.465 1.00 0.00 H new ATOM 158 N ASN A 10 22.587 -4.081 -12.057 1.00 0.00 N ATOM 159 CA ASN A 10 23.053 -4.368 -13.409 1.00 0.00 C ATOM 160 C ASN A 10 22.454 -3.386 -14.411 1.00 0.00 C ATOM 161 O ASN A 10 21.900 -3.788 -15.434 1.00 0.00 O ATOM 162 CB ASN A 10 22.690 -5.801 -13.802 1.00 0.00 C ATOM 163 CG ASN A 10 22.774 -6.761 -12.631 1.00 0.00 C ATOM 164 OD1 ASN A 10 21.865 -7.559 -12.402 1.00 0.00 O ATOM 165 ND2 ASN A 10 23.870 -6.688 -11.884 1.00 0.00 N ATOM 0 H ASN A 10 21.760 -4.608 -11.775 1.00 0.00 H new ATOM 0 HA ASN A 10 24.137 -4.258 -13.424 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.679 -5.818 -14.210 1.00 0.00 H new ATOM 0 HB3 ASN A 10 23.359 -6.138 -14.593 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.984 -7.309 -11.083 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.598 -6.011 -12.111 1.00 0.00 H new ATOM 172 N TYR A 11 22.571 -2.098 -14.110 1.00 0.00 N ATOM 173 CA TYR A 11 22.040 -1.058 -14.983 1.00 0.00 C ATOM 174 C TYR A 11 22.862 0.222 -14.870 1.00 0.00 C ATOM 175 O TYR A 11 23.299 0.616 -13.788 1.00 0.00 O ATOM 176 CB TYR A 11 20.578 -0.770 -14.637 1.00 0.00 C ATOM 177 CG TYR A 11 19.714 -0.485 -15.845 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.485 -1.462 -16.806 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.127 0.762 -16.025 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.698 -1.205 -17.912 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.337 1.027 -17.127 1.00 0.00 C ATOM 182 CZ TYR A 11 18.126 0.040 -18.068 1.00 0.00 C ATOM 183 OH TYR A 11 17.340 0.299 -19.167 1.00 0.00 O ATOM 0 H TYR A 11 23.029 -1.749 -13.268 1.00 0.00 H new ATOM 0 HA TYR A 11 22.100 -1.417 -16.010 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.166 -1.624 -14.099 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.535 0.084 -13.961 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.930 -2.439 -16.686 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.291 1.537 -15.291 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.532 -1.975 -18.651 1.00 0.00 H new ATOM 0 HE2 TYR A 11 17.887 2.001 -17.251 1.00 0.00 H new ATOM 0 HH TYR A 11 16.433 0.526 -18.874 1.00 0.00 H new ATOM 193 N PRO A 12 23.079 0.888 -16.013 1.00 0.00 N ATOM 194 CA PRO A 12 23.850 2.134 -16.070 1.00 0.00 C ATOM 195 C PRO A 12 23.116 3.300 -15.416 1.00 0.00 C ATOM 196 O PRO A 12 22.024 3.676 -15.842 1.00 0.00 O ATOM 197 CB PRO A 12 24.015 2.381 -17.572 1.00 0.00 C ATOM 198 CG PRO A 12 22.861 1.679 -18.200 1.00 0.00 C ATOM 199 CD PRO A 12 22.589 0.476 -17.339 1.00 0.00 C ATOM 0 HA PRO A 12 24.794 2.054 -15.531 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.003 3.446 -17.802 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.964 1.987 -17.936 1.00 0.00 H new ATOM 0 HG2 PRO A 12 21.988 2.330 -18.248 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.094 1.382 -19.223 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.527 0.230 -17.316 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.113 -0.407 -17.705 1.00 0.00 H new ATOM 207 N VAL A 13 23.722 3.868 -14.379 1.00 0.00 N ATOM 208 CA VAL A 13 23.126 4.992 -13.667 1.00 0.00 C ATOM 209 C VAL A 13 22.887 6.171 -14.604 1.00 0.00 C ATOM 210 O VAL A 13 22.073 7.050 -14.317 1.00 0.00 O ATOM 211 CB VAL A 13 24.018 5.453 -12.498 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.394 4.272 -11.616 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.262 6.155 -13.022 1.00 0.00 C ATOM 0 H VAL A 13 24.626 3.568 -14.013 1.00 0.00 H new ATOM 0 HA VAL A 13 22.171 4.646 -13.271 1.00 0.00 H new ATOM 0 HB VAL A 13 23.456 6.164 -11.892 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.024 4.616 -10.796 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.490 3.817 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.938 3.535 -12.207 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.880 6.474 -12.183 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.829 5.469 -13.651 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.969 7.026 -13.608 1.00 0.00 H new ATOM 223 N SER A 14 23.600 6.183 -15.725 1.00 0.00 N ATOM 224 CA SER A 14 23.467 7.256 -16.704 1.00 0.00 C ATOM 225 C SER A 14 22.057 7.291 -17.284 1.00 0.00 C ATOM 226 O SER A 14 21.383 8.321 -17.247 1.00 0.00 O ATOM 227 CB SER A 14 24.489 7.079 -17.828 1.00 0.00 C ATOM 228 OG SER A 14 25.384 8.176 -17.883 1.00 0.00 O ATOM 0 H SER A 14 24.276 5.462 -15.978 1.00 0.00 H new ATOM 0 HA SER A 14 23.656 8.202 -16.197 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.049 6.157 -17.672 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.971 6.980 -18.782 1.00 0.00 H new ATOM 0 HG SER A 14 26.028 8.037 -18.609 1.00 0.00 H new ATOM 234 N LYS A 15 21.616 6.158 -17.820 1.00 0.00 N ATOM 235 CA LYS A 15 20.286 6.056 -18.408 1.00 0.00 C ATOM 236 C LYS A 15 19.210 6.389 -17.379 1.00 0.00 C ATOM 237 O LYS A 15 18.095 6.774 -17.734 1.00 0.00 O ATOM 238 CB LYS A 15 20.058 4.648 -18.963 1.00 0.00 C ATOM 239 CG LYS A 15 20.198 4.560 -20.473 1.00 0.00 C ATOM 240 CD LYS A 15 19.551 3.299 -21.020 1.00 0.00 C ATOM 241 CE LYS A 15 20.582 2.363 -21.631 1.00 0.00 C ATOM 242 NZ LYS A 15 21.313 3.004 -22.760 1.00 0.00 N ATOM 0 H LYS A 15 22.161 5.297 -17.859 1.00 0.00 H new ATOM 0 HA LYS A 15 20.220 6.776 -19.223 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.770 3.964 -18.500 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.061 4.311 -18.679 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.739 5.435 -20.934 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.254 4.575 -20.743 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.020 2.784 -20.219 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.810 3.567 -21.773 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.294 2.057 -20.865 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.087 1.459 -21.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.599 2.277 -23.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.693 3.696 -23.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.159 3.488 -22.396 1.00 0.00 H new ATOM 256 N CYS A 16 19.550 6.239 -16.103 1.00 0.00 N ATOM 257 CA CYS A 16 18.614 6.524 -15.023 1.00 0.00 C ATOM 258 C CYS A 16 18.403 8.028 -14.869 1.00 0.00 C ATOM 259 O CYS A 16 17.270 8.508 -14.873 1.00 0.00 O ATOM 260 CB CYS A 16 19.126 5.933 -13.708 1.00 0.00 C ATOM 261 SG CYS A 16 18.416 4.307 -13.297 1.00 0.00 S ATOM 0 H CYS A 16 20.468 5.921 -15.792 1.00 0.00 H new ATOM 0 HA CYS A 16 17.658 6.064 -15.273 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.211 5.841 -13.762 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.905 6.629 -12.899 1.00 0.00 H new ATOM 266 N GLN A 17 19.501 8.764 -14.736 1.00 0.00 N ATOM 267 CA GLN A 17 19.436 10.212 -14.580 1.00 0.00 C ATOM 268 C GLN A 17 18.771 10.860 -15.790 1.00 0.00 C ATOM 269 O GLN A 17 18.322 12.005 -15.727 1.00 0.00 O ATOM 270 CB GLN A 17 20.839 10.789 -14.384 1.00 0.00 C ATOM 271 CG GLN A 17 21.467 10.421 -13.050 1.00 0.00 C ATOM 272 CD GLN A 17 22.683 9.528 -13.205 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.427 9.637 -14.180 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.892 8.639 -12.241 1.00 0.00 N ATOM 0 H GLN A 17 20.447 8.381 -14.733 1.00 0.00 H new ATOM 0 HA GLN A 17 18.835 10.431 -13.697 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.484 10.436 -15.189 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.791 11.875 -14.466 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.754 11.332 -12.524 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.726 9.915 -12.431 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.250 8.583 -11.451 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.695 8.012 -12.291 1.00 0.00 H new ATOM 283 N LEU A 18 18.712 10.121 -16.893 1.00 0.00 N ATOM 284 CA LEU A 18 18.102 10.623 -18.119 1.00 0.00 C ATOM 285 C LEU A 18 16.586 10.717 -17.975 1.00 0.00 C ATOM 286 O LEU A 18 15.854 9.839 -18.431 1.00 0.00 O ATOM 287 CB LEU A 18 18.459 9.716 -19.298 1.00 0.00 C ATOM 288 CG LEU A 18 19.676 10.135 -20.122 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.366 8.915 -20.713 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.268 11.104 -21.222 1.00 0.00 C ATOM 0 H LEU A 18 19.079 9.172 -16.963 1.00 0.00 H new ATOM 0 HA LEU A 18 18.493 11.623 -18.307 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.632 8.710 -18.917 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.597 9.661 -19.962 1.00 0.00 H new ATOM 0 HG LEU A 18 20.380 10.642 -19.462 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.230 9.233 -21.296 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.694 8.257 -19.908 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.669 8.380 -21.358 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.147 11.391 -21.798 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.544 10.623 -21.880 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.820 11.992 -20.777 1.00 0.00 H new ATOM 302 N ARG A 19 16.123 11.788 -17.339 1.00 0.00 N ATOM 303 CA ARG A 19 14.694 11.996 -17.136 1.00 0.00 C ATOM 304 C ARG A 19 13.955 12.035 -18.470 1.00 0.00 C ATOM 305 O ARG A 19 12.741 11.839 -18.524 1.00 0.00 O ATOM 306 CB ARG A 19 14.451 13.297 -16.368 1.00 0.00 C ATOM 307 CG ARG A 19 14.421 13.118 -14.859 1.00 0.00 C ATOM 308 CD ARG A 19 15.825 13.024 -14.281 1.00 0.00 C ATOM 309 NE ARG A 19 15.987 13.866 -13.099 1.00 0.00 N ATOM 310 CZ ARG A 19 16.008 15.193 -13.139 1.00 0.00 C ATOM 311 NH1 ARG A 19 15.877 15.827 -14.297 1.00 0.00 N ATOM 312 NH2 ARG A 19 16.160 15.890 -12.020 1.00 0.00 N ATOM 0 H ARG A 19 16.716 12.524 -16.956 1.00 0.00 H new ATOM 0 HA ARG A 19 14.310 11.160 -16.552 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.233 14.012 -16.625 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.505 13.729 -16.693 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.894 13.956 -14.403 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.862 12.216 -14.610 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.041 11.988 -14.021 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.550 13.320 -15.039 1.00 0.00 H new ATOM 0 HE ARG A 19 16.090 13.410 -12.193 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.760 15.295 -15.159 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.893 16.846 -14.325 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.261 15.406 -11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.176 16.909 -12.052 1.00 0.00 H new ATOM 326 N ILE A 20 14.696 12.289 -19.543 1.00 0.00 N ATOM 327 CA ILE A 20 14.111 12.353 -20.877 1.00 0.00 C ATOM 328 C ILE A 20 13.884 10.956 -21.445 1.00 0.00 C ATOM 329 O ILE A 20 12.768 10.601 -21.821 1.00 0.00 O ATOM 330 CB ILE A 20 15.003 13.150 -21.846 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.510 14.428 -21.173 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.239 13.483 -23.118 1.00 0.00 C ATOM 333 CD1 ILE A 20 14.411 15.413 -20.842 1.00 0.00 C ATOM 0 H ILE A 20 15.702 12.454 -19.515 1.00 0.00 H new ATOM 0 HA ILE A 20 13.153 12.862 -20.777 1.00 0.00 H new ATOM 0 HB ILE A 20 15.863 12.536 -22.113 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.037 14.162 -20.256 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.235 14.911 -21.828 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.884 14.047 -23.793 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.923 12.560 -23.605 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.362 14.081 -22.870 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.843 16.294 -20.368 1.00 0.00 H new ATOM 0 HD12 ILE A 20 13.899 15.708 -21.758 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.698 14.947 -20.162 1.00 0.00 H new ATOM 345 N ALA A 21 14.952 10.166 -21.503 1.00 0.00 N ATOM 346 CA ALA A 21 14.869 8.807 -22.021 1.00 0.00 C ATOM 347 C ALA A 21 15.129 7.783 -20.921 1.00 0.00 C ATOM 348 O ALA A 21 16.127 7.065 -20.951 1.00 0.00 O ATOM 349 CB ALA A 21 15.855 8.617 -23.164 1.00 0.00 C ATOM 0 H ALA A 21 15.884 10.445 -21.197 1.00 0.00 H new ATOM 0 HA ALA A 21 13.858 8.649 -22.397 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.782 7.597 -23.542 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.622 9.318 -23.966 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.868 8.800 -22.805 1.00 0.00 H new ATOM 355 N ASN A 22 14.223 7.722 -19.950 1.00 0.00 N ATOM 356 CA ASN A 22 14.355 6.787 -18.839 1.00 0.00 C ATOM 357 C ASN A 22 14.115 5.354 -19.303 1.00 0.00 C ATOM 358 O ASN A 22 12.996 4.846 -19.228 1.00 0.00 O ATOM 359 CB ASN A 22 13.371 7.145 -17.724 1.00 0.00 C ATOM 360 CG ASN A 22 13.934 6.866 -16.344 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.136 6.998 -16.114 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.065 6.478 -15.417 1.00 0.00 N ATOM 0 H ASN A 22 13.390 8.309 -19.910 1.00 0.00 H new ATOM 0 HA ASN A 22 15.372 6.860 -18.454 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.109 8.200 -17.800 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.450 6.577 -17.859 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.386 6.276 -14.470 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.077 6.382 -15.652 1.00 0.00 H new ATOM 369 N GLN A 23 15.173 4.707 -19.782 1.00 0.00 N ATOM 370 CA GLN A 23 15.077 3.333 -20.259 1.00 0.00 C ATOM 371 C GLN A 23 15.003 2.355 -19.090 1.00 0.00 C ATOM 372 O GLN A 23 14.856 1.149 -19.285 1.00 0.00 O ATOM 373 CB GLN A 23 16.275 2.994 -21.148 1.00 0.00 C ATOM 374 CG GLN A 23 15.896 2.683 -22.587 1.00 0.00 C ATOM 375 CD GLN A 23 15.470 1.241 -22.780 1.00 0.00 C ATOM 376 OE1 GLN A 23 16.206 0.314 -22.439 1.00 0.00 O ATOM 377 NE2 GLN A 23 14.277 1.043 -23.328 1.00 0.00 N ATOM 0 H GLN A 23 16.106 5.113 -19.850 1.00 0.00 H new ATOM 0 HA GLN A 23 14.162 3.241 -20.844 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.973 3.831 -21.138 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.799 2.137 -20.726 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.084 3.342 -22.895 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.745 2.897 -23.237 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.700 1.840 -23.596 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.938 0.093 -23.481 1.00 0.00 H new ATOM 386 N CYS A 24 15.107 2.884 -17.876 1.00 0.00 N ATOM 387 CA CYS A 24 15.054 2.060 -16.675 1.00 0.00 C ATOM 388 C CYS A 24 13.672 1.434 -16.506 1.00 0.00 C ATOM 389 O CYS A 24 13.526 0.212 -16.528 1.00 0.00 O ATOM 390 CB CYS A 24 15.401 2.895 -15.441 1.00 0.00 C ATOM 391 SG CYS A 24 15.006 2.084 -13.858 1.00 0.00 S ATOM 0 H CYS A 24 15.229 3.881 -17.698 1.00 0.00 H new ATOM 0 HA CYS A 24 15.787 1.260 -16.781 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.465 3.129 -15.461 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.866 3.843 -15.495 1.00 0.00 H new ATOM 396 N ASN A 25 12.662 2.280 -16.338 1.00 0.00 N ATOM 397 CA ASN A 25 11.292 1.810 -16.166 1.00 0.00 C ATOM 398 C ASN A 25 10.879 0.901 -17.319 1.00 0.00 C ATOM 399 O ASN A 25 10.184 -0.096 -17.120 1.00 0.00 O ATOM 400 CB ASN A 25 10.332 2.998 -16.069 1.00 0.00 C ATOM 401 CG ASN A 25 10.121 3.682 -17.406 1.00 0.00 C ATOM 402 OD1 ASN A 25 9.375 3.193 -18.255 1.00 0.00 O ATOM 403 ND2 ASN A 25 10.780 4.818 -17.599 1.00 0.00 N ATOM 0 H ASN A 25 12.766 3.294 -16.317 1.00 0.00 H new ATOM 0 HA ASN A 25 11.245 1.236 -15.240 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.372 2.655 -15.684 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.723 3.720 -15.352 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.679 5.323 -18.479 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.388 5.186 -16.867 1.00 0.00 H new ATOM 410 N TYR A 26 11.312 1.251 -18.525 1.00 0.00 N ATOM 411 CA TYR A 26 10.986 0.468 -19.711 1.00 0.00 C ATOM 412 C TYR A 26 11.739 -0.859 -19.711 1.00 0.00 C ATOM 413 O TYR A 26 11.207 -1.887 -20.133 1.00 0.00 O ATOM 414 CB TYR A 26 11.323 1.257 -20.977 1.00 0.00 C ATOM 415 CG TYR A 26 10.261 1.164 -22.049 1.00 0.00 C ATOM 416 CD1 TYR A 26 8.948 1.537 -21.789 1.00 0.00 C ATOM 417 CD2 TYR A 26 10.570 0.701 -23.323 1.00 0.00 C ATOM 418 CE1 TYR A 26 7.974 1.452 -22.765 1.00 0.00 C ATOM 419 CE2 TYR A 26 9.603 0.614 -24.305 1.00 0.00 C ATOM 420 CZ TYR A 26 8.306 0.991 -24.022 1.00 0.00 C ATOM 421 OH TYR A 26 7.340 0.905 -24.997 1.00 0.00 O ATOM 0 H TYR A 26 11.890 2.072 -18.707 1.00 0.00 H new ATOM 0 HA TYR A 26 9.916 0.259 -19.695 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.471 2.304 -20.714 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.268 0.893 -21.381 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.684 1.900 -20.807 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.584 0.404 -23.549 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.958 1.745 -22.545 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.861 0.253 -25.290 1.00 0.00 H new ATOM 0 HH TYR A 26 7.739 0.563 -25.824 1.00 0.00 H new ATOM 431 N ASP A 27 12.978 -0.829 -19.234 1.00 0.00 N ATOM 432 CA ASP A 27 13.804 -2.030 -19.176 1.00 0.00 C ATOM 433 C ASP A 27 13.259 -3.016 -18.149 1.00 0.00 C ATOM 434 O ASP A 27 13.185 -4.218 -18.405 1.00 0.00 O ATOM 435 CB ASP A 27 15.249 -1.664 -18.833 1.00 0.00 C ATOM 436 CG ASP A 27 16.052 -2.859 -18.358 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.438 -3.689 -19.207 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.294 -2.965 -17.137 1.00 0.00 O ATOM 0 H ASP A 27 13.433 0.013 -18.882 1.00 0.00 H new ATOM 0 HA ASP A 27 13.780 -2.505 -20.157 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.730 -1.233 -19.711 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.252 -0.897 -18.059 1.00 0.00 H new ATOM 443 N CYS A 28 12.878 -2.500 -16.985 1.00 0.00 N ATOM 444 CA CYS A 28 12.341 -3.335 -15.917 1.00 0.00 C ATOM 445 C CYS A 28 11.165 -4.169 -16.418 1.00 0.00 C ATOM 446 O CYS A 28 11.197 -5.399 -16.371 1.00 0.00 O ATOM 447 CB CYS A 28 11.899 -2.468 -14.736 1.00 0.00 C ATOM 448 SG CYS A 28 13.260 -1.959 -13.637 1.00 0.00 S ATOM 0 H CYS A 28 12.931 -1.507 -16.757 1.00 0.00 H new ATOM 0 HA CYS A 28 13.130 -4.011 -15.587 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.403 -1.576 -15.119 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.161 -3.017 -14.152 1.00 0.00 H new ATOM 453 N LYS A 29 10.128 -3.491 -16.897 1.00 0.00 N ATOM 454 CA LYS A 29 8.942 -4.167 -17.408 1.00 0.00 C ATOM 455 C LYS A 29 9.291 -5.050 -18.602 1.00 0.00 C ATOM 456 O LYS A 29 8.649 -6.074 -18.838 1.00 0.00 O ATOM 457 CB LYS A 29 7.879 -3.142 -17.812 1.00 0.00 C ATOM 458 CG LYS A 29 7.562 -2.133 -16.721 1.00 0.00 C ATOM 459 CD LYS A 29 6.937 -0.872 -17.293 1.00 0.00 C ATOM 460 CE LYS A 29 5.460 -1.071 -17.599 1.00 0.00 C ATOM 461 NZ LYS A 29 4.593 -0.273 -16.689 1.00 0.00 N ATOM 0 H LYS A 29 10.085 -2.473 -16.942 1.00 0.00 H new ATOM 0 HA LYS A 29 8.545 -4.799 -16.614 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.219 -2.609 -18.700 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.964 -3.668 -18.086 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.882 -2.581 -15.996 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.476 -1.876 -16.185 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.056 -0.052 -16.584 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.463 -0.585 -18.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.262 -0.786 -18.632 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.209 -2.128 -17.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.629 -0.230 -17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.569 -0.721 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.975 0.690 -16.602 1.00 0.00 H new ATOM 475 N LEU A 30 10.311 -4.648 -19.351 1.00 0.00 N ATOM 476 CA LEU A 30 10.747 -5.404 -20.520 1.00 0.00 C ATOM 477 C LEU A 30 11.051 -6.852 -20.149 1.00 0.00 C ATOM 478 O LEU A 30 10.515 -7.783 -20.751 1.00 0.00 O ATOM 479 CB LEU A 30 11.985 -4.753 -21.140 1.00 0.00 C ATOM 480 CG LEU A 30 11.861 -4.339 -22.607 1.00 0.00 C ATOM 481 CD1 LEU A 30 11.337 -5.495 -23.446 1.00 0.00 C ATOM 482 CD2 LEU A 30 10.956 -3.124 -22.744 1.00 0.00 C ATOM 0 H LEU A 30 10.852 -3.803 -19.170 1.00 0.00 H new ATOM 0 HA LEU A 30 9.937 -5.398 -21.250 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.239 -3.870 -20.554 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.821 -5.447 -21.048 1.00 0.00 H new ATOM 0 HG LEU A 30 12.852 -4.071 -22.974 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.255 -5.182 -24.487 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.024 -6.338 -23.374 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.355 -5.795 -23.079 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.880 -2.844 -23.795 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.965 -3.363 -22.359 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.374 -2.293 -22.176 1.00 0.00 H new ATOM 494 N ASP A 31 11.913 -7.034 -19.155 1.00 0.00 N ATOM 495 CA ASP A 31 12.287 -8.369 -18.702 1.00 0.00 C ATOM 496 C ASP A 31 11.648 -8.683 -17.353 1.00 0.00 C ATOM 497 O ASP A 31 10.760 -9.531 -17.256 1.00 0.00 O ATOM 498 CB ASP A 31 13.808 -8.489 -18.600 1.00 0.00 C ATOM 499 CG ASP A 31 14.408 -9.248 -19.768 1.00 0.00 C ATOM 500 OD1 ASP A 31 13.994 -8.992 -20.918 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.293 -10.097 -19.531 1.00 0.00 O ATOM 0 H ASP A 31 12.366 -6.274 -18.647 1.00 0.00 H new ATOM 0 HA ASP A 31 11.922 -9.090 -19.434 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.246 -7.492 -18.555 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.068 -8.994 -17.670 1.00 0.00 H new ATOM 506 N LYS A 32 12.106 -7.995 -16.312 1.00 0.00 N ATOM 507 CA LYS A 32 11.581 -8.200 -14.968 1.00 0.00 C ATOM 508 C LYS A 32 10.056 -8.171 -14.970 1.00 0.00 C ATOM 509 O LYS A 32 9.411 -8.864 -14.182 1.00 0.00 O ATOM 510 CB LYS A 32 12.120 -7.127 -14.019 1.00 0.00 C ATOM 511 CG LYS A 32 13.634 -7.010 -14.030 1.00 0.00 C ATOM 512 CD LYS A 32 14.190 -6.828 -12.628 1.00 0.00 C ATOM 513 CE LYS A 32 15.676 -6.505 -12.655 1.00 0.00 C ATOM 514 NZ LYS A 32 16.190 -6.142 -11.305 1.00 0.00 N ATOM 0 H LYS A 32 12.840 -7.290 -16.374 1.00 0.00 H new ATOM 0 HA LYS A 32 11.908 -9.181 -14.622 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.688 -6.164 -14.290 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.789 -7.351 -13.005 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.066 -7.904 -14.480 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.930 -6.165 -14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.651 -6.026 -12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.025 -7.737 -12.049 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.228 -7.365 -13.034 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.856 -5.681 -13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.106 -5.659 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.512 -5.509 -10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.311 -7.004 -10.736 1.00 0.00 H new ATOM 528 N HIS A 33 9.484 -7.367 -15.861 1.00 0.00 N ATOM 529 CA HIS A 33 8.034 -7.251 -15.966 1.00 0.00 C ATOM 530 C HIS A 33 7.445 -6.633 -14.702 1.00 0.00 C ATOM 531 O HIS A 33 6.339 -6.977 -14.288 1.00 0.00 O ATOM 532 CB HIS A 33 7.408 -8.623 -16.216 1.00 0.00 C ATOM 533 CG HIS A 33 6.317 -8.606 -17.241 1.00 0.00 C ATOM 534 ND1 HIS A 33 6.294 -9.451 -18.331 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.205 -7.841 -17.338 1.00 0.00 C ATOM 536 CE1 HIS A 33 5.216 -9.205 -19.054 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.538 -8.232 -18.473 1.00 0.00 N ATOM 0 H HIS A 33 10.002 -6.787 -16.520 1.00 0.00 H new ATOM 0 HA HIS A 33 7.807 -6.597 -16.808 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.186 -9.315 -16.537 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.008 -9.007 -15.278 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.899 -7.067 -16.650 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.937 -9.713 -19.965 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.662 -7.835 -18.812 1.00 0.00 H new ATOM 545 N ALA A 34 8.193 -5.719 -14.092 1.00 0.00 N ATOM 546 CA ALA A 34 7.744 -5.052 -12.876 1.00 0.00 C ATOM 547 C ALA A 34 6.434 -4.308 -13.109 1.00 0.00 C ATOM 548 O ALA A 34 5.806 -4.452 -14.158 1.00 0.00 O ATOM 549 CB ALA A 34 8.815 -4.094 -12.374 1.00 0.00 C ATOM 0 H ALA A 34 9.113 -5.424 -14.420 1.00 0.00 H new ATOM 0 HA ALA A 34 7.568 -5.814 -12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.467 -3.603 -11.466 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.728 -4.649 -12.159 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.018 -3.343 -13.137 1.00 0.00 H new ATOM 555 N ARG A 35 6.026 -3.514 -12.125 1.00 0.00 N ATOM 556 CA ARG A 35 4.789 -2.749 -12.223 1.00 0.00 C ATOM 557 C ARG A 35 4.987 -1.501 -13.079 1.00 0.00 C ATOM 558 O ARG A 35 4.291 -1.302 -14.074 1.00 0.00 O ATOM 559 CB ARG A 35 4.299 -2.351 -10.829 1.00 0.00 C ATOM 560 CG ARG A 35 4.262 -3.508 -9.844 1.00 0.00 C ATOM 561 CD ARG A 35 4.042 -3.020 -8.420 1.00 0.00 C ATOM 562 NE ARG A 35 2.802 -2.259 -8.288 1.00 0.00 N ATOM 563 CZ ARG A 35 2.461 -1.595 -7.189 1.00 0.00 C ATOM 564 NH1 ARG A 35 3.262 -1.599 -6.133 1.00 0.00 N ATOM 565 NH2 ARG A 35 1.316 -0.926 -7.146 1.00 0.00 N ATOM 0 H ARG A 35 6.534 -3.384 -11.250 1.00 0.00 H new ATOM 0 HA ARG A 35 4.038 -3.380 -12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.948 -1.569 -10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.300 -1.924 -10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.465 -4.198 -10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.198 -4.064 -9.899 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.017 -3.874 -7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.884 -2.398 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 35 2.163 -2.236 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.143 -2.113 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.998 -1.088 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.697 -0.921 -7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.055 -0.416 -6.302 1.00 0.00 H new ATOM 579 N SER A 36 5.941 -0.664 -12.684 1.00 0.00 N ATOM 580 CA SER A 36 6.228 0.566 -13.412 1.00 0.00 C ATOM 581 C SER A 36 7.730 0.738 -13.618 1.00 0.00 C ATOM 582 O SER A 36 8.191 0.986 -14.731 1.00 0.00 O ATOM 583 CB SER A 36 5.664 1.773 -12.660 1.00 0.00 C ATOM 584 OG SER A 36 6.567 2.220 -11.663 1.00 0.00 O ATOM 0 H SER A 36 6.528 -0.815 -11.864 1.00 0.00 H new ATOM 0 HA SER A 36 5.750 0.500 -14.389 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.463 2.582 -13.363 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.712 1.507 -12.200 1.00 0.00 H new ATOM 0 HG SER A 36 6.439 3.180 -11.512 1.00 0.00 H new ATOM 590 N GLY A 37 8.489 0.603 -12.534 1.00 0.00 N ATOM 591 CA GLY A 37 9.931 0.746 -12.616 1.00 0.00 C ATOM 592 C GLY A 37 10.374 2.194 -12.548 1.00 0.00 C ATOM 593 O GLY A 37 9.838 3.047 -13.255 1.00 0.00 O ATOM 0 H GLY A 37 8.131 0.397 -11.601 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.395 0.188 -11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.285 0.304 -13.548 1.00 0.00 H new ATOM 597 N GLU A 38 11.355 2.472 -11.695 1.00 0.00 N ATOM 598 CA GLU A 38 11.868 3.828 -11.537 1.00 0.00 C ATOM 599 C GLU A 38 13.294 3.810 -10.993 1.00 0.00 C ATOM 600 O GLU A 38 13.772 2.786 -10.505 1.00 0.00 O ATOM 601 CB GLU A 38 10.963 4.633 -10.603 1.00 0.00 C ATOM 602 CG GLU A 38 9.696 5.140 -11.271 1.00 0.00 C ATOM 603 CD GLU A 38 8.500 4.246 -11.006 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.699 3.123 -10.498 1.00 0.00 O ATOM 605 OE2 GLU A 38 7.364 4.670 -11.307 1.00 0.00 O ATOM 0 H GLU A 38 11.810 1.777 -11.103 1.00 0.00 H new ATOM 0 HA GLU A 38 11.879 4.303 -12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.690 4.011 -9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.523 5.483 -10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.479 6.147 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.860 5.212 -12.346 1.00 0.00 H new ATOM 612 N CYS A 39 13.968 4.952 -11.080 1.00 0.00 N ATOM 613 CA CYS A 39 15.339 5.070 -10.598 1.00 0.00 C ATOM 614 C CYS A 39 15.395 5.892 -9.314 1.00 0.00 C ATOM 615 O CYS A 39 14.712 6.909 -9.184 1.00 0.00 O ATOM 616 CB CYS A 39 16.224 5.712 -11.667 1.00 0.00 C ATOM 617 SG CYS A 39 16.332 4.758 -13.215 1.00 0.00 S ATOM 0 H CYS A 39 13.587 5.809 -11.480 1.00 0.00 H new ATOM 0 HA CYS A 39 15.710 4.068 -10.383 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.840 6.707 -11.892 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.228 5.842 -11.262 1.00 0.00 H new ATOM 622 N PHE A 40 16.213 5.445 -8.367 1.00 0.00 N ATOM 623 CA PHE A 40 16.358 6.139 -7.092 1.00 0.00 C ATOM 624 C PHE A 40 17.768 5.962 -6.534 1.00 0.00 C ATOM 625 O PHE A 40 18.475 5.020 -6.892 1.00 0.00 O ATOM 626 CB PHE A 40 15.330 5.620 -6.085 1.00 0.00 C ATOM 627 CG PHE A 40 13.908 5.848 -6.508 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.318 7.093 -6.360 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.160 4.818 -7.056 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.008 7.305 -6.748 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.850 5.024 -7.447 1.00 0.00 C ATOM 632 CZ PHE A 40 11.274 6.270 -7.294 1.00 0.00 C ATOM 0 H PHE A 40 16.785 4.606 -8.458 1.00 0.00 H new ATOM 0 HA PHE A 40 16.184 7.201 -7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.489 4.552 -5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.497 6.106 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.888 7.907 -5.937 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.606 3.842 -7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.559 8.279 -6.624 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.278 4.212 -7.871 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.252 6.435 -7.601 1.00 0.00 H new ATOM 642 N TYR A 41 18.169 6.876 -5.657 1.00 0.00 N ATOM 643 CA TYR A 41 19.494 6.824 -5.052 1.00 0.00 C ATOM 644 C TYR A 41 19.527 5.828 -3.897 1.00 0.00 C ATOM 645 O TYR A 41 18.505 5.558 -3.266 1.00 0.00 O ATOM 646 CB TYR A 41 19.906 8.211 -4.556 1.00 0.00 C ATOM 647 CG TYR A 41 20.314 9.154 -5.666 1.00 0.00 C ATOM 648 CD1 TYR A 41 21.609 9.146 -6.170 1.00 0.00 C ATOM 649 CD2 TYR A 41 19.405 10.053 -6.209 1.00 0.00 C ATOM 650 CE1 TYR A 41 21.986 10.007 -7.183 1.00 0.00 C ATOM 651 CE2 TYR A 41 19.773 10.916 -7.223 1.00 0.00 C ATOM 652 CZ TYR A 41 21.065 10.889 -7.706 1.00 0.00 C ATOM 653 OH TYR A 41 21.435 11.748 -8.715 1.00 0.00 O ATOM 0 H TYR A 41 17.595 7.661 -5.350 1.00 0.00 H new ATOM 0 HA TYR A 41 20.200 6.493 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.076 8.651 -4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.735 8.106 -3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 41 22.333 8.455 -5.763 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.393 10.078 -5.832 1.00 0.00 H new ATOM 0 HE1 TYR A 41 22.997 9.989 -7.563 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.053 11.608 -7.635 1.00 0.00 H new ATOM 0 HH TYR A 41 20.668 12.302 -8.971 1.00 0.00 H new ATOM 663 N ASP A 42 20.709 5.285 -3.626 1.00 0.00 N ATOM 664 CA ASP A 42 20.877 4.320 -2.545 1.00 0.00 C ATOM 665 C ASP A 42 21.400 5.002 -1.284 1.00 0.00 C ATOM 666 O ASP A 42 21.428 6.229 -1.197 1.00 0.00 O ATOM 667 CB ASP A 42 21.835 3.207 -2.972 1.00 0.00 C ATOM 668 CG ASP A 42 21.342 1.832 -2.566 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.216 1.464 -2.963 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.082 1.124 -1.852 1.00 0.00 O ATOM 0 H ASP A 42 21.565 5.496 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 42 19.902 3.885 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.965 3.238 -4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.815 3.384 -2.528 1.00 0.00 H new ATOM 675 N GLU A 43 21.813 4.197 -0.310 1.00 0.00 N ATOM 676 CA GLU A 43 22.333 4.723 0.946 1.00 0.00 C ATOM 677 C GLU A 43 23.605 5.533 0.712 1.00 0.00 C ATOM 678 O GLU A 43 23.861 6.522 1.400 1.00 0.00 O ATOM 679 CB GLU A 43 22.615 3.582 1.925 1.00 0.00 C ATOM 680 CG GLU A 43 21.434 2.647 2.127 1.00 0.00 C ATOM 681 CD GLU A 43 21.750 1.503 3.072 1.00 0.00 C ATOM 682 OE1 GLU A 43 22.430 0.549 2.641 1.00 0.00 O ATOM 683 OE2 GLU A 43 21.317 1.564 4.241 1.00 0.00 O ATOM 0 H GLU A 43 21.797 3.179 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 43 21.577 5.381 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.466 3.006 1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.903 4.004 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.589 3.214 2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.127 2.242 1.163 1.00 0.00 H new ATOM 690 N LYS A 44 24.399 5.106 -0.264 1.00 0.00 N ATOM 691 CA LYS A 44 25.645 5.790 -0.591 1.00 0.00 C ATOM 692 C LYS A 44 25.439 6.777 -1.736 1.00 0.00 C ATOM 693 O LYS A 44 26.381 7.116 -2.453 1.00 0.00 O ATOM 694 CB LYS A 44 26.725 4.774 -0.967 1.00 0.00 C ATOM 695 CG LYS A 44 27.639 4.403 0.188 1.00 0.00 C ATOM 696 CD LYS A 44 29.079 4.802 -0.090 1.00 0.00 C ATOM 697 CE LYS A 44 29.881 4.927 1.196 1.00 0.00 C ATOM 698 NZ LYS A 44 31.112 4.089 1.166 1.00 0.00 N ATOM 0 H LYS A 44 24.202 4.289 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 44 25.968 6.345 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.246 3.871 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.327 5.180 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.294 4.893 1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.586 3.329 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.544 4.060 -0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.098 5.751 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.156 5.970 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.260 4.630 2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.631 4.202 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 30.849 3.090 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 31.717 4.389 0.375 1.00 0.00 H new ATOM 712 N ARG A 45 24.202 7.235 -1.902 1.00 0.00 N ATOM 713 CA ARG A 45 23.874 8.182 -2.960 1.00 0.00 C ATOM 714 C ARG A 45 24.131 7.573 -4.335 1.00 0.00 C ATOM 715 O ARG A 45 24.617 8.247 -5.242 1.00 0.00 O ATOM 716 CB ARG A 45 24.693 9.464 -2.797 1.00 0.00 C ATOM 717 CG ARG A 45 24.605 10.071 -1.406 1.00 0.00 C ATOM 718 CD ARG A 45 23.807 11.366 -1.413 1.00 0.00 C ATOM 719 NE ARG A 45 24.347 12.345 -0.474 1.00 0.00 N ATOM 720 CZ ARG A 45 25.467 13.028 -0.686 1.00 0.00 C ATOM 721 NH1 ARG A 45 26.161 12.838 -1.799 1.00 0.00 N ATOM 722 NH2 ARG A 45 25.893 13.902 0.216 1.00 0.00 N ATOM 0 H ARG A 45 23.411 6.965 -1.317 1.00 0.00 H new ATOM 0 HA ARG A 45 22.814 8.423 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.737 9.249 -3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.352 10.198 -3.527 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.139 9.358 -0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.609 10.263 -1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.809 11.788 -2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.769 11.154 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 45 23.836 12.514 0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 45 25.836 12.167 -2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 45 27.020 13.363 -1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 45 25.361 14.050 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 45 26.753 14.426 0.052 1.00 0.00 H new ATOM 736 N ASN A 46 23.802 6.293 -4.480 1.00 0.00 N ATOM 737 CA ASN A 46 23.998 5.593 -5.744 1.00 0.00 C ATOM 738 C ASN A 46 22.667 5.372 -6.456 1.00 0.00 C ATOM 739 O ASN A 46 21.837 4.577 -6.013 1.00 0.00 O ATOM 740 CB ASN A 46 24.689 4.249 -5.504 1.00 0.00 C ATOM 741 CG ASN A 46 25.456 4.219 -4.196 1.00 0.00 C ATOM 742 OD1 ASN A 46 24.864 4.165 -3.118 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.780 4.253 -4.286 1.00 0.00 N ATOM 0 H ASN A 46 23.399 5.720 -3.738 1.00 0.00 H new ATOM 0 HA ASN A 46 24.631 6.212 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.942 3.455 -5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.372 4.043 -6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.349 4.235 -3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 46 27.228 4.298 -5.201 1.00 0.00 H new ATOM 750 N LEU A 47 22.470 6.081 -7.562 1.00 0.00 N ATOM 751 CA LEU A 47 21.239 5.964 -8.337 1.00 0.00 C ATOM 752 C LEU A 47 21.201 4.644 -9.101 1.00 0.00 C ATOM 753 O LEU A 47 22.007 4.415 -10.003 1.00 0.00 O ATOM 754 CB LEU A 47 21.114 7.135 -9.314 1.00 0.00 C ATOM 755 CG LEU A 47 19.837 7.968 -9.202 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.908 9.179 -10.120 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.617 7.120 -9.529 1.00 0.00 C ATOM 0 H LEU A 47 23.146 6.743 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 47 20.399 5.987 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.969 7.796 -9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.181 6.744 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 47 19.745 8.321 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.991 9.760 -10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.760 9.798 -9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.024 8.847 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.717 7.729 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.702 6.738 -10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.557 6.285 -8.831 1.00 0.00 H new ATOM 769 N GLN A 48 20.259 3.781 -8.735 1.00 0.00 N ATOM 770 CA GLN A 48 20.115 2.485 -9.387 1.00 0.00 C ATOM 771 C GLN A 48 18.697 2.295 -9.915 1.00 0.00 C ATOM 772 O GLN A 48 17.750 2.900 -9.411 1.00 0.00 O ATOM 773 CB GLN A 48 20.465 1.359 -8.413 1.00 0.00 C ATOM 774 CG GLN A 48 21.888 1.431 -7.885 1.00 0.00 C ATOM 775 CD GLN A 48 22.049 0.743 -6.544 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.931 -0.098 -6.367 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.195 1.096 -5.590 1.00 0.00 N ATOM 0 H GLN A 48 19.584 3.956 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 48 20.804 2.453 -10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.772 1.389 -7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.319 0.401 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.563 0.972 -8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.184 2.476 -7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.479 1.797 -5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.255 0.666 -4.667 1.00 0.00 H new ATOM 786 N CYS A 49 18.557 1.452 -10.932 1.00 0.00 N ATOM 787 CA CYS A 49 17.255 1.183 -11.529 1.00 0.00 C ATOM 788 C CYS A 49 16.441 0.233 -10.655 1.00 0.00 C ATOM 789 O CYS A 49 16.550 -0.988 -10.779 1.00 0.00 O ATOM 790 CB CYS A 49 17.425 0.586 -12.928 1.00 0.00 C ATOM 791 SG CYS A 49 15.857 0.297 -13.809 1.00 0.00 S ATOM 0 H CYS A 49 19.330 0.943 -11.360 1.00 0.00 H new ATOM 0 HA CYS A 49 16.717 2.128 -11.607 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.046 1.255 -13.524 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.962 -0.359 -12.845 1.00 0.00 H new ATOM 796 N ILE A 50 15.628 0.801 -9.772 1.00 0.00 N ATOM 797 CA ILE A 50 14.795 0.005 -8.878 1.00 0.00 C ATOM 798 C ILE A 50 13.446 -0.308 -9.517 1.00 0.00 C ATOM 799 O ILE A 50 12.699 0.596 -9.891 1.00 0.00 O ATOM 800 CB ILE A 50 14.561 0.725 -7.537 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.858 0.775 -6.727 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.463 0.028 -6.747 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.358 2.180 -6.474 1.00 0.00 C ATOM 0 H ILE A 50 15.528 1.809 -9.656 1.00 0.00 H new ATOM 0 HA ILE A 50 15.331 -0.926 -8.692 1.00 0.00 H new ATOM 0 HB ILE A 50 14.243 1.747 -7.741 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.699 0.277 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.629 0.213 -7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.309 0.548 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.537 0.039 -7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.755 -1.003 -6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.280 2.139 -5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.549 2.675 -7.426 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.605 2.740 -5.919 1.00 0.00 H new ATOM 815 N CYS A 51 13.139 -1.596 -9.636 1.00 0.00 N ATOM 816 CA CYS A 51 11.880 -2.030 -10.228 1.00 0.00 C ATOM 817 C CYS A 51 10.830 -2.280 -9.149 1.00 0.00 C ATOM 818 O CYS A 51 11.141 -2.300 -7.958 1.00 0.00 O ATOM 819 CB CYS A 51 12.091 -3.301 -11.054 1.00 0.00 C ATOM 820 SG CYS A 51 13.522 -3.227 -12.179 1.00 0.00 S ATOM 0 H CYS A 51 13.745 -2.357 -9.330 1.00 0.00 H new ATOM 0 HA CYS A 51 11.522 -1.235 -10.882 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.218 -4.145 -10.376 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.192 -3.495 -11.639 1.00 0.00 H new ATOM 825 N ASP A 52 9.586 -2.471 -9.575 1.00 0.00 N ATOM 826 CA ASP A 52 8.490 -2.721 -8.647 1.00 0.00 C ATOM 827 C ASP A 52 7.994 -4.159 -8.766 1.00 0.00 C ATOM 828 O ASP A 52 7.538 -4.583 -9.828 1.00 0.00 O ATOM 829 CB ASP A 52 7.339 -1.749 -8.909 1.00 0.00 C ATOM 830 CG ASP A 52 6.902 -1.017 -7.655 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.504 -1.691 -6.682 1.00 0.00 O ATOM 832 OD2 ASP A 52 6.959 0.231 -7.647 1.00 0.00 O ATOM 0 H ASP A 52 9.312 -2.457 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 52 8.863 -2.566 -7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.645 -1.023 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.491 -2.297 -9.320 1.00 0.00 H new ATOM 837 N TYR A 53 8.088 -4.904 -7.671 1.00 0.00 N ATOM 838 CA TYR A 53 7.653 -6.296 -7.653 1.00 0.00 C ATOM 839 C TYR A 53 6.605 -6.525 -6.568 1.00 0.00 C ATOM 840 O TYR A 53 6.921 -6.550 -5.378 1.00 0.00 O ATOM 841 CB TYR A 53 8.848 -7.223 -7.428 1.00 0.00 C ATOM 842 CG TYR A 53 9.428 -7.785 -8.706 1.00 0.00 C ATOM 843 CD1 TYR A 53 8.958 -8.978 -9.241 1.00 0.00 C ATOM 844 CD2 TYR A 53 10.445 -7.121 -9.381 1.00 0.00 C ATOM 845 CE1 TYR A 53 9.486 -9.495 -10.408 1.00 0.00 C ATOM 846 CE2 TYR A 53 10.978 -7.629 -10.550 1.00 0.00 C ATOM 847 CZ TYR A 53 10.495 -8.817 -11.059 1.00 0.00 C ATOM 848 OH TYR A 53 11.022 -9.328 -12.223 1.00 0.00 O ATOM 0 H TYR A 53 8.462 -4.568 -6.784 1.00 0.00 H new ATOM 0 HA TYR A 53 7.204 -6.522 -8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.626 -6.676 -6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.541 -8.048 -6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.166 -9.510 -8.736 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.826 -6.191 -8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.111 -10.425 -10.808 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.768 -7.100 -11.062 1.00 0.00 H new ATOM 0 HH TYR A 53 10.298 -9.504 -12.860 1.00 0.00 H new ATOM 858 N CYS A 54 5.355 -6.693 -6.987 1.00 0.00 N ATOM 859 CA CYS A 54 4.259 -6.921 -6.054 1.00 0.00 C ATOM 860 C CYS A 54 2.930 -7.037 -6.794 1.00 0.00 C ATOM 861 O CYS A 54 2.043 -7.786 -6.384 1.00 0.00 O ATOM 862 CB CYS A 54 4.189 -5.786 -5.031 1.00 0.00 C ATOM 863 SG CYS A 54 4.354 -6.333 -3.301 1.00 0.00 S ATOM 0 H CYS A 54 5.076 -6.675 -7.968 1.00 0.00 H new ATOM 0 HA CYS A 54 4.447 -7.860 -5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.977 -5.065 -5.250 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.239 -5.265 -5.147 1.00 0.00 H new ATOM 868 N GLU A 55 2.800 -6.291 -7.886 1.00 0.00 N ATOM 869 CA GLU A 55 1.579 -6.310 -8.683 1.00 0.00 C ATOM 870 C GLU A 55 1.902 -6.344 -10.174 1.00 0.00 C ATOM 871 O GLU A 55 3.067 -6.409 -10.566 1.00 0.00 O ATOM 872 CB GLU A 55 0.716 -5.087 -8.364 1.00 0.00 C ATOM 873 CG GLU A 55 -0.088 -5.226 -7.083 1.00 0.00 C ATOM 874 CD GLU A 55 -1.407 -4.479 -7.138 1.00 0.00 C ATOM 875 OE1 GLU A 55 -1.512 -3.521 -7.931 1.00 0.00 O ATOM 876 OE2 GLU A 55 -2.332 -4.852 -6.388 1.00 0.00 O ATOM 0 H GLU A 55 3.525 -5.666 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 55 1.024 -7.213 -8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.359 -4.210 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.033 -4.909 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.280 -6.282 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.502 -4.853 -6.246 1.00 0.00 H new ATOM 883 N TYR A 56 0.862 -6.299 -10.999 1.00 0.00 N ATOM 884 CA TYR A 56 1.034 -6.328 -12.447 1.00 0.00 C ATOM 885 C TYR A 56 1.668 -5.033 -12.946 1.00 0.00 C ATOM 886 O TYR A 56 1.579 -3.995 -12.292 1.00 0.00 O ATOM 887 CB TYR A 56 -0.313 -6.548 -13.137 1.00 0.00 C ATOM 888 CG TYR A 56 -0.578 -7.992 -13.500 1.00 0.00 C ATOM 889 CD1 TYR A 56 0.055 -8.584 -14.586 1.00 0.00 C ATOM 890 CD2 TYR A 56 -1.461 -8.764 -12.756 1.00 0.00 C ATOM 891 CE1 TYR A 56 -0.185 -9.902 -14.921 1.00 0.00 C ATOM 892 CE2 TYR A 56 -1.707 -10.084 -13.083 1.00 0.00 C ATOM 893 CZ TYR A 56 -1.067 -10.648 -14.167 1.00 0.00 C ATOM 894 OH TYR A 56 -1.307 -11.962 -14.496 1.00 0.00 O ATOM 0 H TYR A 56 -0.109 -6.242 -10.690 1.00 0.00 H new ATOM 0 HA TYR A 56 1.700 -7.155 -12.692 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.109 -6.195 -12.482 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.352 -5.942 -14.042 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.747 -8.003 -15.178 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.964 -8.325 -11.907 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.315 -10.346 -15.769 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.396 -10.670 -12.493 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.952 -12.345 -13.865 1.00 0.00 H new TER 904 TYR A 56