USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 569 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 -72:sc= 0.943 USER MOD Set 1.2: A 41 TYR OH : rot 0:sc= -2.08! USER MOD Set 2.1: A 15 SER OG : rot 180:sc= -0.247 USER MOD Set 2.2: A 18 HIS : no HE2:sc= -9.57! C(o=-9.8!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.35 (180deg=-1.14) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 118:sc= -0.241 USER MOD Single : A 11 ASN : amide:sc= -2.93! C(o=-2.9!,f=-6.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -124:sc= 1.03 USER MOD Single : A 19 TYR OH : rot 110:sc= -0.377 USER MOD Single : A 23 SER OG : rot 120:sc= -1.34 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 39 ASN : amide:sc= -5.62! C(o=-5.6!,f=-2.5!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -56:sc= 0.109 USER MOD Single : A 47 ASN : amide:sc= -2.81! K(o=-2.8!,f=-0.2) USER MOD Single : A 48 GLN : amide:sc= -1.03! K(o=-1!,f=0) USER MOD Single : A 50 THR OG1 : rot 10:sc= 0.695 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.024) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0778) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0408 K(o=-0.041,f=-1.8!) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0362) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -51:sc= -1.5! USER MOD Single : A 72 MET CE :methyl 169:sc= -1.33 (180deg=-1.5) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 158:sc=-0.000122 (180deg=-0.518) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.907 -13.922 -15.898 1.00 0.00 N ATOM 2 CA MET A 1 -16.292 -14.608 -14.738 1.00 0.00 C ATOM 3 C MET A 1 -15.548 -15.854 -15.203 1.00 0.00 C ATOM 4 O MET A 1 -15.260 -16.737 -14.420 1.00 0.00 O ATOM 5 CB MET A 1 -17.385 -15.029 -13.737 1.00 0.00 C ATOM 6 CG MET A 1 -18.554 -15.658 -14.499 1.00 0.00 C ATOM 7 SD MET A 1 -18.202 -17.118 -15.511 1.00 0.00 S ATOM 8 CE MET A 1 -19.850 -17.293 -16.238 1.00 0.00 C ATOM 0 H1 MET A 1 -17.658 -13.284 -15.566 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.182 -13.371 -16.400 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.314 -14.629 -16.544 1.00 0.00 H new ATOM 0 HA MET A 1 -15.595 -13.921 -14.258 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.980 -15.740 -13.017 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.729 -14.163 -13.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.322 -15.928 -13.774 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.983 -14.894 -15.148 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.862 -18.151 -16.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.583 -17.443 -15.446 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.099 -16.391 -16.796 1.00 0.00 H new ATOM 20 N LYS A 2 -15.249 -15.903 -16.473 1.00 0.00 N ATOM 21 CA LYS A 2 -14.525 -17.084 -17.006 1.00 0.00 C ATOM 22 C LYS A 2 -13.052 -17.035 -16.614 1.00 0.00 C ATOM 23 O LYS A 2 -12.600 -17.804 -15.790 1.00 0.00 O ATOM 24 CB LYS A 2 -14.631 -17.063 -18.544 1.00 0.00 C ATOM 25 CG LYS A 2 -14.139 -18.412 -19.123 1.00 0.00 C ATOM 26 CD LYS A 2 -15.281 -19.441 -19.102 1.00 0.00 C ATOM 27 CE LYS A 2 -14.827 -20.704 -19.840 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.798 -21.813 -19.621 1.00 0.00 N ATOM 0 H LYS A 2 -15.474 -15.181 -17.157 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.967 -17.992 -16.595 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.663 -16.883 -18.844 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.035 -16.245 -18.947 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.784 -18.271 -20.144 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.295 -18.781 -18.540 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.552 -19.682 -18.074 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.170 -19.026 -19.577 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.737 -20.497 -20.906 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.839 -21.003 -19.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.476 -22.662 -20.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.864 -22.021 -18.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.733 -21.531 -19.978 1.00 0.00 H new ATOM 42 N GLU A 3 -12.329 -16.128 -17.213 1.00 0.00 N ATOM 43 CA GLU A 3 -10.886 -16.015 -16.888 1.00 0.00 C ATOM 44 C GLU A 3 -10.689 -15.440 -15.490 1.00 0.00 C ATOM 45 O GLU A 3 -11.457 -14.612 -15.042 1.00 0.00 O ATOM 46 CB GLU A 3 -10.233 -15.071 -17.910 1.00 0.00 C ATOM 47 CG GLU A 3 -10.545 -15.569 -19.323 1.00 0.00 C ATOM 48 CD GLU A 3 -9.677 -14.811 -20.328 1.00 0.00 C ATOM 49 OE1 GLU A 3 -9.161 -13.780 -19.929 1.00 0.00 O ATOM 50 OE2 GLU A 3 -9.577 -15.305 -21.440 1.00 0.00 O ATOM 0 H GLU A 3 -12.675 -15.467 -17.908 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.433 -17.006 -16.924 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.608 -14.056 -17.778 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.155 -15.035 -17.753 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.354 -16.640 -19.394 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.600 -15.418 -19.550 1.00 0.00 H new ATOM 57 N THR A 4 -9.659 -15.891 -14.824 1.00 0.00 N ATOM 58 CA THR A 4 -9.394 -15.382 -13.453 1.00 0.00 C ATOM 59 C THR A 4 -8.695 -14.038 -13.495 1.00 0.00 C ATOM 60 O THR A 4 -7.730 -13.865 -14.206 1.00 0.00 O ATOM 61 CB THR A 4 -8.461 -16.378 -12.735 1.00 0.00 C ATOM 62 OG1 THR A 4 -9.183 -17.591 -12.672 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.247 -15.977 -11.262 1.00 0.00 C ATOM 0 H THR A 4 -8.996 -16.585 -15.170 1.00 0.00 H new ATOM 0 HA THR A 4 -10.346 -15.273 -12.933 1.00 0.00 H new ATOM 0 HB THR A 4 -7.506 -16.425 -13.258 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.639 -18.272 -12.224 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.585 -16.697 -10.781 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.798 -14.985 -11.217 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.207 -15.965 -10.745 1.00 0.00 H new ATOM 71 N ARG A 5 -9.211 -13.091 -12.751 1.00 0.00 N ATOM 72 CA ARG A 5 -8.577 -11.741 -12.732 1.00 0.00 C ATOM 73 C ARG A 5 -7.654 -11.668 -11.541 1.00 0.00 C ATOM 74 O ARG A 5 -7.589 -12.593 -10.756 1.00 0.00 O ATOM 75 CB ARG A 5 -9.674 -10.657 -12.622 1.00 0.00 C ATOM 76 CG ARG A 5 -10.881 -11.079 -13.469 1.00 0.00 C ATOM 77 CD ARG A 5 -10.427 -11.335 -14.911 1.00 0.00 C ATOM 78 NE ARG A 5 -11.619 -11.307 -15.805 1.00 0.00 N ATOM 79 CZ ARG A 5 -11.449 -11.196 -17.094 1.00 0.00 C ATOM 80 NH1 ARG A 5 -10.355 -11.668 -17.630 1.00 0.00 N ATOM 81 NH2 ARG A 5 -12.376 -10.615 -17.806 1.00 0.00 N ATOM 0 H ARG A 5 -10.037 -13.195 -12.161 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.012 -11.573 -13.649 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.971 -10.527 -11.581 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.290 -9.697 -12.966 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.334 -11.979 -13.053 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.643 -10.300 -13.449 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.707 -10.577 -15.219 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.925 -12.300 -14.982 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.558 -11.374 -15.413 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.651 -12.114 -17.043 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.205 -11.590 -18.636 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.217 -10.256 -17.354 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.260 -10.520 -18.815 1.00 0.00 H new ATOM 95 N TYR A 6 -6.953 -10.589 -11.409 1.00 0.00 N ATOM 96 CA TYR A 6 -6.017 -10.468 -10.250 1.00 0.00 C ATOM 97 C TYR A 6 -5.855 -9.002 -9.835 1.00 0.00 C ATOM 98 O TYR A 6 -6.450 -8.131 -10.438 1.00 0.00 O ATOM 99 CB TYR A 6 -4.658 -11.047 -10.719 1.00 0.00 C ATOM 100 CG TYR A 6 -4.906 -12.246 -11.651 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.155 -13.500 -11.127 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.895 -12.088 -13.021 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.383 -14.573 -11.956 1.00 0.00 C ATOM 104 CE2 TYR A 6 -5.120 -13.167 -13.851 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.366 -14.417 -13.324 1.00 0.00 C ATOM 106 OH TYR A 6 -5.588 -15.495 -14.156 1.00 0.00 O ATOM 0 H TYR A 6 -6.979 -9.788 -12.040 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.400 -11.007 -9.383 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.084 -10.280 -11.240 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.066 -11.358 -9.858 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.171 -13.639 -10.056 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.709 -11.113 -13.447 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.577 -15.547 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.103 -13.031 -14.922 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.396 -15.337 -14.687 1.00 0.00 H new ATOM 116 N CYS A 7 -5.049 -8.730 -8.804 1.00 0.00 N ATOM 117 CA CYS A 7 -4.893 -7.303 -8.399 1.00 0.00 C ATOM 118 C CYS A 7 -4.550 -6.498 -9.600 1.00 0.00 C ATOM 119 O CYS A 7 -3.814 -6.945 -10.458 1.00 0.00 O ATOM 120 CB CYS A 7 -3.771 -7.123 -7.351 1.00 0.00 C ATOM 121 SG CYS A 7 -3.574 -5.453 -6.667 1.00 0.00 S ATOM 0 H CYS A 7 -4.523 -9.413 -8.259 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.833 -6.974 -7.956 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.959 -7.811 -6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.826 -7.421 -7.806 1.00 0.00 H new ATOM 126 N ALA A 8 -5.077 -5.336 -9.667 1.00 0.00 N ATOM 127 CA ALA A 8 -4.778 -4.502 -10.825 1.00 0.00 C ATOM 128 C ALA A 8 -3.270 -4.489 -11.145 1.00 0.00 C ATOM 129 O ALA A 8 -2.903 -4.483 -12.299 1.00 0.00 O ATOM 130 CB ALA A 8 -5.265 -3.077 -10.535 1.00 0.00 C ATOM 0 H ALA A 8 -5.701 -4.926 -8.972 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.289 -4.912 -11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.050 -2.438 -11.391 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.340 -3.090 -10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.752 -2.689 -9.655 1.00 0.00 H new ATOM 136 N VAL A 9 -2.412 -4.535 -10.121 1.00 0.00 N ATOM 137 CA VAL A 9 -0.933 -4.516 -10.424 1.00 0.00 C ATOM 138 C VAL A 9 -0.031 -4.984 -9.246 1.00 0.00 C ATOM 139 O VAL A 9 0.955 -5.664 -9.454 1.00 0.00 O ATOM 140 CB VAL A 9 -0.543 -3.020 -10.713 1.00 0.00 C ATOM 141 CG1 VAL A 9 1.004 -2.855 -10.677 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.074 -2.582 -12.097 1.00 0.00 C ATOM 0 H VAL A 9 -2.666 -4.583 -9.134 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.770 -5.201 -11.256 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.993 -2.392 -9.944 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.264 -1.816 -10.878 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.377 -3.138 -9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.456 -3.495 -11.435 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.796 -1.544 -12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.641 -3.217 -12.870 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.160 -2.675 -12.116 1.00 0.00 H new ATOM 152 N CYS A 10 -0.388 -4.612 -8.061 1.00 0.00 N ATOM 153 CA CYS A 10 0.449 -5.011 -6.863 1.00 0.00 C ATOM 154 C CYS A 10 0.508 -6.521 -6.506 1.00 0.00 C ATOM 155 O CYS A 10 1.524 -7.147 -6.734 1.00 0.00 O ATOM 156 CB CYS A 10 -0.043 -4.198 -5.622 1.00 0.00 C ATOM 157 SG CYS A 10 -0.653 -5.118 -4.186 1.00 0.00 S ATOM 0 H CYS A 10 -1.214 -4.052 -7.849 1.00 0.00 H new ATOM 0 HA CYS A 10 1.474 -4.777 -7.151 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.781 -3.568 -5.288 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.839 -3.532 -5.954 1.00 0.00 H new ATOM 162 N ASN A 11 -0.555 -7.098 -5.968 1.00 0.00 N ATOM 163 CA ASN A 11 -0.487 -8.539 -5.616 1.00 0.00 C ATOM 164 C ASN A 11 -0.937 -9.443 -6.735 1.00 0.00 C ATOM 165 O ASN A 11 -0.222 -9.649 -7.696 1.00 0.00 O ATOM 166 CB ASN A 11 -1.392 -8.759 -4.383 1.00 0.00 C ATOM 167 CG ASN A 11 -1.427 -10.249 -4.030 1.00 0.00 C ATOM 168 OD1 ASN A 11 -0.750 -11.058 -4.634 1.00 0.00 O ATOM 169 ND2 ASN A 11 -2.201 -10.652 -3.060 1.00 0.00 N ATOM 0 H ASN A 11 -1.441 -6.634 -5.767 1.00 0.00 H new ATOM 0 HA ASN A 11 0.553 -8.794 -5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.017 -8.183 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.400 -8.400 -4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.236 -11.641 -2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.772 -9.978 -2.549 1.00 0.00 H new ATOM 176 N ASP A 12 -2.120 -9.946 -6.603 1.00 0.00 N ATOM 177 CA ASP A 12 -2.642 -10.844 -7.637 1.00 0.00 C ATOM 178 C ASP A 12 -4.094 -11.218 -7.340 1.00 0.00 C ATOM 179 O ASP A 12 -4.889 -10.369 -6.992 1.00 0.00 O ATOM 180 CB ASP A 12 -1.789 -12.137 -7.650 1.00 0.00 C ATOM 181 CG ASP A 12 -2.041 -12.893 -8.957 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.913 -12.251 -9.986 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.346 -14.069 -8.851 1.00 0.00 O ATOM 0 H ASP A 12 -2.747 -9.770 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.595 -10.339 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.731 -11.890 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.046 -12.765 -6.797 1.00 0.00 H new ATOM 188 N TYR A 13 -4.404 -12.512 -7.467 1.00 0.00 N ATOM 189 CA TYR A 13 -5.805 -12.989 -7.202 1.00 0.00 C ATOM 190 C TYR A 13 -6.544 -12.098 -6.231 1.00 0.00 C ATOM 191 O TYR A 13 -6.450 -12.243 -5.028 1.00 0.00 O ATOM 192 CB TYR A 13 -5.776 -14.378 -6.609 1.00 0.00 C ATOM 193 CG TYR A 13 -4.993 -15.342 -7.517 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.607 -15.962 -8.596 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.678 -15.650 -7.235 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.917 -16.877 -9.364 1.00 0.00 C ATOM 197 CE2 TYR A 13 -2.988 -16.563 -8.007 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.602 -17.184 -9.077 1.00 0.00 C ATOM 199 OH TYR A 13 -2.911 -18.094 -9.848 1.00 0.00 O ATOM 0 H TYR A 13 -3.745 -13.241 -7.741 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.321 -12.975 -8.162 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.316 -14.347 -5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.794 -14.743 -6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.633 -15.726 -8.836 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.184 -15.172 -6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.410 -17.357 -10.197 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.959 -16.794 -7.772 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.998 -18.188 -9.504 1.00 0.00 H new ATOM 209 N ALA A 14 -7.258 -11.202 -6.785 1.00 0.00 N ATOM 210 CA ALA A 14 -8.040 -10.252 -5.969 1.00 0.00 C ATOM 211 C ALA A 14 -9.272 -10.928 -5.372 1.00 0.00 C ATOM 212 O ALA A 14 -9.895 -11.760 -6.001 1.00 0.00 O ATOM 213 CB ALA A 14 -8.480 -9.090 -6.890 1.00 0.00 C ATOM 0 H ALA A 14 -7.344 -11.074 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.428 -9.887 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.061 -8.370 -6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.599 -8.599 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.091 -9.482 -7.704 1.00 0.00 H new ATOM 219 N SER A 15 -9.599 -10.551 -4.166 1.00 0.00 N ATOM 220 CA SER A 15 -10.782 -11.155 -3.509 1.00 0.00 C ATOM 221 C SER A 15 -12.037 -10.943 -4.343 1.00 0.00 C ATOM 222 O SER A 15 -12.986 -11.695 -4.241 1.00 0.00 O ATOM 223 CB SER A 15 -10.977 -10.478 -2.143 1.00 0.00 C ATOM 224 OG SER A 15 -10.982 -9.090 -2.441 1.00 0.00 O ATOM 0 H SER A 15 -9.099 -9.855 -3.614 1.00 0.00 H new ATOM 0 HA SER A 15 -10.616 -12.226 -3.398 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.911 -10.788 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.173 -10.734 -1.453 1.00 0.00 H new ATOM 0 HG SER A 15 -11.105 -8.578 -1.614 1.00 0.00 H new ATOM 230 N GLY A 16 -12.025 -9.919 -5.160 1.00 0.00 N ATOM 231 CA GLY A 16 -13.225 -9.649 -6.011 1.00 0.00 C ATOM 232 C GLY A 16 -13.271 -8.179 -6.439 1.00 0.00 C ATOM 233 O GLY A 16 -12.268 -7.493 -6.435 1.00 0.00 O ATOM 0 H GLY A 16 -11.249 -9.267 -5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.201 -10.288 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.131 -9.900 -5.459 1.00 0.00 H new ATOM 237 N TYR A 17 -14.451 -7.727 -6.802 1.00 0.00 N ATOM 238 CA TYR A 17 -14.610 -6.304 -7.240 1.00 0.00 C ATOM 239 C TYR A 17 -15.068 -5.421 -6.070 1.00 0.00 C ATOM 240 O TYR A 17 -16.009 -5.746 -5.374 1.00 0.00 O ATOM 241 CB TYR A 17 -15.698 -6.274 -8.377 1.00 0.00 C ATOM 242 CG TYR A 17 -15.152 -5.562 -9.632 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.964 -5.964 -10.207 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.857 -4.526 -10.215 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.490 -5.346 -11.344 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.380 -3.906 -11.352 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.194 -4.311 -11.925 1.00 0.00 C ATOM 248 OH TYR A 17 -13.717 -3.693 -13.063 1.00 0.00 O ATOM 0 H TYR A 17 -15.307 -8.282 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.655 -5.919 -7.599 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.996 -7.292 -8.630 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.591 -5.760 -8.020 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.400 -6.771 -9.762 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.789 -4.199 -9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.560 -5.674 -11.784 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.941 -3.097 -11.796 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.640 -2.729 -12.904 1.00 0.00 H new ATOM 258 N HIS A 18 -14.387 -4.323 -5.884 1.00 0.00 N ATOM 259 CA HIS A 18 -14.758 -3.402 -4.774 1.00 0.00 C ATOM 260 C HIS A 18 -14.203 -2.005 -5.055 1.00 0.00 C ATOM 261 O HIS A 18 -14.290 -1.120 -4.227 1.00 0.00 O ATOM 262 CB HIS A 18 -14.175 -3.946 -3.410 1.00 0.00 C ATOM 263 CG HIS A 18 -13.522 -5.318 -3.616 1.00 0.00 C ATOM 264 ND1 HIS A 18 -12.290 -5.527 -3.825 1.00 0.00 N ATOM 265 CD2 HIS A 18 -14.105 -6.569 -3.585 1.00 0.00 C ATOM 266 CE1 HIS A 18 -12.055 -6.772 -3.921 1.00 0.00 C ATOM 267 NE2 HIS A 18 -13.153 -7.514 -3.782 1.00 0.00 N ATOM 0 H HIS A 18 -13.593 -4.025 -6.451 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.844 -3.348 -4.701 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.442 -3.243 -3.015 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.973 -4.023 -2.671 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -11.583 -4.796 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -15.156 -6.764 -3.428 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.072 -7.184 -4.096 1.00 0.00 H new ATOM 275 N TYR A 19 -13.650 -1.837 -6.232 1.00 0.00 N ATOM 276 CA TYR A 19 -13.080 -0.510 -6.597 1.00 0.00 C ATOM 277 C TYR A 19 -13.144 -0.320 -8.104 1.00 0.00 C ATOM 278 O TYR A 19 -12.434 0.492 -8.662 1.00 0.00 O ATOM 279 CB TYR A 19 -11.591 -0.498 -6.157 1.00 0.00 C ATOM 280 CG TYR A 19 -11.522 -0.113 -4.698 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.724 -1.063 -3.737 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.359 1.194 -4.323 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.782 -0.718 -2.411 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.420 1.540 -2.988 1.00 0.00 C ATOM 285 CZ TYR A 19 -11.632 0.586 -2.026 1.00 0.00 C ATOM 286 OH TYR A 19 -11.691 0.935 -0.693 1.00 0.00 O ATOM 0 H TYR A 19 -13.571 -2.558 -6.949 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.642 0.287 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.143 -1.480 -6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.024 0.209 -6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.839 -2.097 -4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.183 1.953 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.947 -1.481 -1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.299 2.573 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.799 1.200 -0.385 1.00 0.00 H new ATOM 296 N GLY A 20 -14.011 -1.060 -8.735 1.00 0.00 N ATOM 297 CA GLY A 20 -14.133 -0.938 -10.210 1.00 0.00 C ATOM 298 C GLY A 20 -13.022 -1.759 -10.851 1.00 0.00 C ATOM 299 O GLY A 20 -12.801 -1.705 -12.044 1.00 0.00 O ATOM 0 H GLY A 20 -14.635 -1.738 -8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.108 -1.295 -10.541 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.056 0.106 -10.512 1.00 0.00 H new ATOM 303 N VAL A 21 -12.341 -2.509 -10.018 1.00 0.00 N ATOM 304 CA VAL A 21 -11.230 -3.359 -10.510 1.00 0.00 C ATOM 305 C VAL A 21 -11.042 -4.562 -9.608 1.00 0.00 C ATOM 306 O VAL A 21 -11.361 -4.523 -8.437 1.00 0.00 O ATOM 307 CB VAL A 21 -9.906 -2.534 -10.455 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.776 -1.621 -11.692 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.915 -1.682 -9.176 1.00 0.00 C ATOM 0 H VAL A 21 -12.514 -2.564 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.465 -3.683 -11.524 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.056 -3.216 -10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.846 -1.056 -11.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.772 -2.231 -12.595 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.618 -0.930 -11.724 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.996 -1.098 -9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.772 -1.009 -9.193 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.983 -2.334 -8.305 1.00 0.00 H new ATOM 319 N TRP A 22 -10.526 -5.608 -10.169 1.00 0.00 N ATOM 320 CA TRP A 22 -10.302 -6.823 -9.347 1.00 0.00 C ATOM 321 C TRP A 22 -9.077 -6.536 -8.496 1.00 0.00 C ATOM 322 O TRP A 22 -7.989 -6.954 -8.811 1.00 0.00 O ATOM 323 CB TRP A 22 -10.027 -8.024 -10.281 1.00 0.00 C ATOM 324 CG TRP A 22 -11.172 -8.167 -11.282 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.120 -7.724 -12.517 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.330 -8.729 -11.026 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.326 -8.042 -13.024 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.159 -8.686 -12.132 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.778 -9.313 -9.856 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.427 -9.226 -12.069 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -14.048 -9.853 -9.797 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.872 -9.809 -10.902 1.00 0.00 C ATOM 0 H TRP A 22 -10.251 -5.679 -11.149 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.166 -7.062 -8.727 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.085 -7.879 -10.809 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.926 -8.938 -9.695 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.301 -7.222 -13.011 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.600 -7.826 -13.983 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.135 -9.347 -8.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.072 -9.192 -12.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.397 -10.311 -8.883 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.865 -10.231 -10.853 1.00 0.00 H new ATOM 343 N SER A 23 -9.298 -5.811 -7.420 1.00 0.00 N ATOM 344 CA SER A 23 -8.175 -5.440 -6.493 1.00 0.00 C ATOM 345 C SER A 23 -8.048 -6.365 -5.290 1.00 0.00 C ATOM 346 O SER A 23 -8.979 -7.007 -4.894 1.00 0.00 O ATOM 347 CB SER A 23 -8.462 -3.986 -5.985 1.00 0.00 C ATOM 348 OG SER A 23 -9.704 -3.652 -6.566 1.00 0.00 O ATOM 0 H SER A 23 -10.214 -5.458 -7.143 1.00 0.00 H new ATOM 0 HA SER A 23 -7.238 -5.522 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.509 -3.947 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.679 -3.294 -6.295 1.00 0.00 H new ATOM 0 HG SER A 23 -10.355 -3.459 -5.859 1.00 0.00 H new ATOM 354 N CYS A 24 -6.862 -6.408 -4.740 1.00 0.00 N ATOM 355 CA CYS A 24 -6.635 -7.286 -3.549 1.00 0.00 C ATOM 356 C CYS A 24 -7.086 -6.587 -2.271 1.00 0.00 C ATOM 357 O CYS A 24 -6.967 -5.385 -2.141 1.00 0.00 O ATOM 358 CB CYS A 24 -5.135 -7.608 -3.441 1.00 0.00 C ATOM 359 SG CYS A 24 -4.033 -6.301 -2.850 1.00 0.00 S ATOM 0 H CYS A 24 -6.049 -5.881 -5.058 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.213 -8.202 -3.672 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.023 -8.466 -2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.787 -7.919 -4.426 1.00 0.00 H new ATOM 364 N GLU A 25 -7.597 -7.360 -1.348 1.00 0.00 N ATOM 365 CA GLU A 25 -8.066 -6.771 -0.065 1.00 0.00 C ATOM 366 C GLU A 25 -7.064 -5.768 0.485 1.00 0.00 C ATOM 367 O GLU A 25 -7.410 -4.644 0.788 1.00 0.00 O ATOM 368 CB GLU A 25 -8.235 -7.910 0.952 1.00 0.00 C ATOM 369 CG GLU A 25 -8.924 -7.366 2.205 1.00 0.00 C ATOM 370 CD GLU A 25 -9.236 -8.526 3.152 1.00 0.00 C ATOM 371 OE1 GLU A 25 -8.280 -9.159 3.566 1.00 0.00 O ATOM 372 OE2 GLU A 25 -10.415 -8.714 3.407 1.00 0.00 O ATOM 0 H GLU A 25 -7.708 -8.371 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.007 -6.251 -0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.826 -8.716 0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.263 -8.331 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.281 -6.639 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.843 -6.846 1.933 1.00 0.00 H new ATOM 379 N GLY A 26 -5.843 -6.191 0.608 1.00 0.00 N ATOM 380 CA GLY A 26 -4.801 -5.266 1.142 1.00 0.00 C ATOM 381 C GLY A 26 -4.871 -3.918 0.428 1.00 0.00 C ATOM 382 O GLY A 26 -4.958 -2.885 1.060 1.00 0.00 O ATOM 0 H GLY A 26 -5.518 -7.127 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.945 -5.125 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.812 -5.705 1.008 1.00 0.00 H new ATOM 386 N CYS A 27 -4.833 -3.951 -0.878 1.00 0.00 N ATOM 387 CA CYS A 27 -4.899 -2.677 -1.629 1.00 0.00 C ATOM 388 C CYS A 27 -6.123 -1.897 -1.213 1.00 0.00 C ATOM 389 O CYS A 27 -6.041 -0.750 -0.898 1.00 0.00 O ATOM 390 CB CYS A 27 -4.983 -2.997 -3.148 1.00 0.00 C ATOM 391 SG CYS A 27 -3.454 -2.914 -4.087 1.00 0.00 S ATOM 0 H CYS A 27 -4.760 -4.796 -1.445 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.011 -2.081 -1.419 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.395 -4.000 -3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.696 -2.307 -3.600 1.00 0.00 H new ATOM 396 N LYS A 28 -7.235 -2.542 -1.229 1.00 0.00 N ATOM 397 CA LYS A 28 -8.474 -1.850 -0.835 1.00 0.00 C ATOM 398 C LYS A 28 -8.280 -1.146 0.515 1.00 0.00 C ATOM 399 O LYS A 28 -8.528 0.028 0.641 1.00 0.00 O ATOM 400 CB LYS A 28 -9.607 -2.936 -0.748 1.00 0.00 C ATOM 401 CG LYS A 28 -10.577 -2.652 0.426 1.00 0.00 C ATOM 402 CD LYS A 28 -11.792 -3.581 0.324 1.00 0.00 C ATOM 403 CE LYS A 28 -12.877 -3.094 1.288 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.927 -4.137 1.462 1.00 0.00 N ATOM 0 H LYS A 28 -7.344 -3.520 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.743 -1.084 -1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.164 -2.958 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.159 -3.921 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.068 -2.806 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.899 -1.611 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.173 -3.591 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.505 -4.604 0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.432 -2.853 2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.326 -2.177 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.655 -3.790 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.363 -4.348 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.497 -5.002 1.847 1.00 0.00 H new ATOM 418 N ALA A 29 -7.834 -1.885 1.483 1.00 0.00 N ATOM 419 CA ALA A 29 -7.617 -1.285 2.826 1.00 0.00 C ATOM 420 C ALA A 29 -6.624 -0.128 2.763 1.00 0.00 C ATOM 421 O ALA A 29 -6.891 0.953 3.248 1.00 0.00 O ATOM 422 CB ALA A 29 -7.050 -2.382 3.752 1.00 0.00 C ATOM 0 H ALA A 29 -7.610 -2.877 1.406 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.565 -0.898 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.881 -1.968 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.761 -3.206 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.107 -2.749 3.347 1.00 0.00 H new ATOM 428 N PHE A 30 -5.502 -0.381 2.168 1.00 0.00 N ATOM 429 CA PHE A 30 -4.468 0.680 2.053 1.00 0.00 C ATOM 430 C PHE A 30 -4.960 1.817 1.217 1.00 0.00 C ATOM 431 O PHE A 30 -4.720 2.972 1.507 1.00 0.00 O ATOM 432 CB PHE A 30 -3.256 0.062 1.329 1.00 0.00 C ATOM 433 CG PHE A 30 -2.182 1.136 1.082 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.312 2.041 0.028 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.079 1.233 1.915 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.357 3.020 -0.176 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.132 2.216 1.704 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.274 3.106 0.662 1.00 0.00 C ATOM 0 H PHE A 30 -5.252 -1.279 1.754 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.219 1.050 3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.840 -0.748 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.572 -0.372 0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.164 1.976 -0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.959 0.537 2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.464 3.717 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.724 2.287 2.359 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.469 3.874 0.504 1.00 0.00 H new ATOM 448 N PHE A 31 -5.633 1.467 0.200 1.00 0.00 N ATOM 449 CA PHE A 31 -6.169 2.480 -0.705 1.00 0.00 C ATOM 450 C PHE A 31 -7.280 3.306 -0.061 1.00 0.00 C ATOM 451 O PHE A 31 -7.339 4.492 -0.261 1.00 0.00 O ATOM 452 CB PHE A 31 -6.712 1.747 -1.940 1.00 0.00 C ATOM 453 CG PHE A 31 -7.071 2.757 -3.014 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.114 3.584 -3.521 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.363 2.863 -3.472 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.420 4.497 -4.456 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.707 3.799 -4.427 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.733 4.622 -4.927 1.00 0.00 C ATOM 0 H PHE A 31 -5.843 0.502 -0.055 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.376 3.180 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.966 1.049 -2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.590 1.160 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.097 3.504 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.122 2.203 -3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.647 5.141 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.727 3.881 -4.774 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.975 5.360 -5.677 1.00 0.00 H new ATOM 468 N LYS A 32 -8.124 2.675 0.718 1.00 0.00 N ATOM 469 CA LYS A 32 -9.231 3.449 1.370 1.00 0.00 C ATOM 470 C LYS A 32 -8.677 4.419 2.400 1.00 0.00 C ATOM 471 O LYS A 32 -9.267 5.446 2.672 1.00 0.00 O ATOM 472 CB LYS A 32 -10.214 2.441 2.067 1.00 0.00 C ATOM 473 CG LYS A 32 -11.669 2.825 1.743 1.00 0.00 C ATOM 474 CD LYS A 32 -12.614 1.792 2.363 1.00 0.00 C ATOM 475 CE LYS A 32 -14.061 2.252 2.158 1.00 0.00 C ATOM 476 NZ LYS A 32 -14.991 1.433 2.985 1.00 0.00 N ATOM 0 H LYS A 32 -8.099 1.677 0.929 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.759 4.024 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.011 1.426 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.057 2.452 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.891 3.818 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.815 2.867 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.460 0.817 1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.402 1.679 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.156 3.304 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.330 2.167 1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.967 1.758 2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.912 0.433 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.744 1.535 3.990 1.00 0.00 H new ATOM 490 N ARG A 33 -7.557 4.080 2.956 1.00 0.00 N ATOM 491 CA ARG A 33 -6.946 4.968 3.972 1.00 0.00 C ATOM 492 C ARG A 33 -6.019 5.970 3.317 1.00 0.00 C ATOM 493 O ARG A 33 -5.532 6.880 3.957 1.00 0.00 O ATOM 494 CB ARG A 33 -6.105 4.087 4.889 1.00 0.00 C ATOM 495 CG ARG A 33 -5.566 4.925 6.057 1.00 0.00 C ATOM 496 CD ARG A 33 -5.081 3.988 7.168 1.00 0.00 C ATOM 497 NE ARG A 33 -4.245 4.765 8.129 1.00 0.00 N ATOM 498 CZ ARG A 33 -2.993 5.008 7.842 1.00 0.00 C ATOM 499 NH1 ARG A 33 -2.706 6.039 7.095 1.00 0.00 N ATOM 500 NH2 ARG A 33 -2.072 4.213 8.314 1.00 0.00 N ATOM 0 H ARG A 33 -7.037 3.227 2.752 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.728 5.504 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.707 3.261 5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.278 3.649 4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.748 5.560 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.346 5.586 6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.932 3.543 7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.502 3.168 6.743 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.647 5.104 9.003 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.453 6.639 6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.735 6.244 6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.334 3.418 8.896 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.090 4.387 8.101 1.00 0.00 H new ATOM 514 N SER A 34 -5.796 5.785 2.038 1.00 0.00 N ATOM 515 CA SER A 34 -4.885 6.721 1.292 1.00 0.00 C ATOM 516 C SER A 34 -5.490 7.354 0.037 1.00 0.00 C ATOM 517 O SER A 34 -4.785 8.024 -0.687 1.00 0.00 O ATOM 518 CB SER A 34 -3.723 5.881 0.822 1.00 0.00 C ATOM 519 OG SER A 34 -3.087 5.454 2.018 1.00 0.00 O ATOM 0 H SER A 34 -6.200 5.034 1.479 1.00 0.00 H new ATOM 0 HA SER A 34 -4.639 7.538 1.970 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.061 5.032 0.227 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.043 6.459 0.195 1.00 0.00 H new ATOM 0 HG SER A 34 -2.617 6.211 2.427 1.00 0.00 H new ATOM 525 N ILE A 35 -6.741 7.132 -0.228 1.00 0.00 N ATOM 526 CA ILE A 35 -7.327 7.767 -1.478 1.00 0.00 C ATOM 527 C ILE A 35 -6.903 9.221 -1.628 1.00 0.00 C ATOM 528 O ILE A 35 -7.128 9.822 -2.657 1.00 0.00 O ATOM 529 CB ILE A 35 -8.873 7.729 -1.471 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.404 6.386 -0.976 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.371 7.954 -2.934 1.00 0.00 C ATOM 532 CD1 ILE A 35 -9.172 5.304 -2.042 1.00 0.00 C ATOM 0 H ILE A 35 -7.379 6.564 0.330 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.943 7.180 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.236 8.505 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.904 6.107 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.468 6.466 -0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.461 7.931 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.021 8.922 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.979 7.166 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.554 4.349 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.693 5.579 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.105 5.215 -2.244 1.00 0.00 H new ATOM 544 N GLN A 36 -6.339 9.787 -0.612 1.00 0.00 N ATOM 545 CA GLN A 36 -5.926 11.183 -0.759 1.00 0.00 C ATOM 546 C GLN A 36 -4.783 11.246 -1.748 1.00 0.00 C ATOM 547 O GLN A 36 -3.959 10.355 -1.806 1.00 0.00 O ATOM 548 CB GLN A 36 -5.441 11.722 0.582 1.00 0.00 C ATOM 549 CG GLN A 36 -6.592 11.682 1.590 1.00 0.00 C ATOM 550 CD GLN A 36 -6.168 12.402 2.871 1.00 0.00 C ATOM 551 OE1 GLN A 36 -5.421 11.877 3.673 1.00 0.00 O ATOM 552 NE2 GLN A 36 -6.621 13.604 3.102 1.00 0.00 N ATOM 0 H GLN A 36 -6.152 9.351 0.291 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.770 11.779 -1.107 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.604 11.126 0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.079 12.744 0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.477 12.158 1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.861 10.649 1.812 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.248 14.050 2.433 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.348 14.097 3.952 1.00 0.00 H new ATOM 561 N GLY A 37 -4.747 12.285 -2.505 1.00 0.00 N ATOM 562 CA GLY A 37 -3.650 12.431 -3.518 1.00 0.00 C ATOM 563 C GLY A 37 -2.571 13.342 -2.957 1.00 0.00 C ATOM 564 O GLY A 37 -1.477 12.914 -2.645 1.00 0.00 O ATOM 0 H GLY A 37 -5.422 13.049 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.229 11.455 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.047 12.845 -4.445 1.00 0.00 H new ATOM 568 N HIS A 38 -2.916 14.590 -2.844 1.00 0.00 N ATOM 569 CA HIS A 38 -1.953 15.584 -2.308 1.00 0.00 C ATOM 570 C HIS A 38 -1.728 15.375 -0.809 1.00 0.00 C ATOM 571 O HIS A 38 -2.197 16.143 0.008 1.00 0.00 O ATOM 572 CB HIS A 38 -2.537 16.988 -2.533 1.00 0.00 C ATOM 573 CG HIS A 38 -1.426 18.028 -2.377 1.00 0.00 C ATOM 574 ND1 HIS A 38 -0.494 18.204 -3.189 1.00 0.00 N ATOM 575 CD2 HIS A 38 -1.214 18.949 -1.369 1.00 0.00 C ATOM 576 CE1 HIS A 38 0.284 19.130 -2.811 1.00 0.00 C ATOM 577 NE2 HIS A 38 -0.095 19.671 -1.653 1.00 0.00 N ATOM 0 H HIS A 38 -3.829 14.966 -3.101 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.998 15.468 -2.820 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.978 17.056 -3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.335 17.182 -1.817 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.836 19.076 -0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.156 19.445 -3.365 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.338 20.426 -1.121 1.00 0.00 H new ATOM 585 N ASN A 39 -1.010 14.334 -0.486 1.00 0.00 N ATOM 586 CA ASN A 39 -0.720 14.024 0.946 1.00 0.00 C ATOM 587 C ASN A 39 0.697 13.508 1.074 1.00 0.00 C ATOM 588 O ASN A 39 1.321 13.177 0.086 1.00 0.00 O ATOM 589 CB ASN A 39 -1.699 12.948 1.406 1.00 0.00 C ATOM 590 CG ASN A 39 -1.508 12.686 2.907 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.301 13.110 3.724 1.00 0.00 O ATOM 592 ND2 ASN A 39 -0.477 11.994 3.311 1.00 0.00 N ATOM 0 H ASN A 39 -0.608 13.679 -1.157 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.827 14.920 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.723 13.266 1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.536 12.029 0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.342 11.813 4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.194 11.634 2.632 1.00 0.00 H new ATOM 599 N ASP A 40 1.196 13.440 2.273 1.00 0.00 N ATOM 600 CA ASP A 40 2.583 12.935 2.426 1.00 0.00 C ATOM 601 C ASP A 40 2.644 11.509 1.965 1.00 0.00 C ATOM 602 O ASP A 40 2.085 10.624 2.582 1.00 0.00 O ATOM 603 CB ASP A 40 2.998 12.987 3.878 1.00 0.00 C ATOM 604 CG ASP A 40 2.798 14.403 4.420 1.00 0.00 C ATOM 605 OD1 ASP A 40 1.652 14.826 4.418 1.00 0.00 O ATOM 606 OD2 ASP A 40 3.800 14.983 4.804 1.00 0.00 O ATOM 0 H ASP A 40 0.717 13.705 3.134 1.00 0.00 H new ATOM 0 HA ASP A 40 3.252 13.557 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.410 12.278 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.043 12.693 3.979 1.00 0.00 H new ATOM 611 N TYR A 41 3.322 11.306 0.896 1.00 0.00 N ATOM 612 CA TYR A 41 3.446 9.926 0.339 1.00 0.00 C ATOM 613 C TYR A 41 4.768 9.768 -0.396 1.00 0.00 C ATOM 614 O TYR A 41 5.643 9.067 0.055 1.00 0.00 O ATOM 615 CB TYR A 41 2.278 9.716 -0.695 1.00 0.00 C ATOM 616 CG TYR A 41 1.027 9.167 0.010 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.271 9.973 0.809 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.673 7.848 -0.136 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.817 9.489 1.476 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.429 7.331 0.527 1.00 0.00 C ATOM 621 CZ TYR A 41 -1.185 8.158 1.350 1.00 0.00 C ATOM 622 OH TYR A 41 -2.250 7.662 2.055 1.00 0.00 O ATOM 0 H TYR A 41 3.806 12.032 0.368 1.00 0.00 H new ATOM 0 HA TYR A 41 3.399 9.200 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.042 10.662 -1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.595 9.025 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.538 11.014 0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.261 7.206 -0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.396 10.148 2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.699 6.292 0.405 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.642 8.375 2.601 1.00 0.00 H new ATOM 632 N MET A 42 4.850 10.439 -1.533 1.00 0.00 N ATOM 633 CA MET A 42 6.079 10.401 -2.398 1.00 0.00 C ATOM 634 C MET A 42 7.349 9.939 -1.655 1.00 0.00 C ATOM 635 O MET A 42 7.535 10.195 -0.482 1.00 0.00 O ATOM 636 CB MET A 42 6.295 11.823 -2.970 1.00 0.00 C ATOM 637 CG MET A 42 6.947 12.718 -1.918 1.00 0.00 C ATOM 638 SD MET A 42 6.928 14.504 -2.214 1.00 0.00 S ATOM 639 CE MET A 42 5.264 14.822 -1.576 1.00 0.00 C ATOM 0 H MET A 42 4.098 11.022 -1.901 1.00 0.00 H new ATOM 0 HA MET A 42 5.913 9.664 -3.184 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.925 11.774 -3.858 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.340 12.248 -3.279 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.455 12.530 -0.964 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.986 12.406 -1.808 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.038 15.885 -1.663 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.538 14.248 -2.152 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.213 14.525 -0.529 1.00 0.00 H new ATOM 649 N CYS A 43 8.220 9.313 -2.399 1.00 0.00 N ATOM 650 CA CYS A 43 9.506 8.801 -1.811 1.00 0.00 C ATOM 651 C CYS A 43 10.729 8.963 -2.784 1.00 0.00 C ATOM 652 O CYS A 43 11.428 8.010 -3.065 1.00 0.00 O ATOM 653 CB CYS A 43 9.277 7.283 -1.526 1.00 0.00 C ATOM 654 SG CYS A 43 8.130 6.416 -2.640 1.00 0.00 S ATOM 0 H CYS A 43 8.101 9.130 -3.395 1.00 0.00 H new ATOM 0 HA CYS A 43 9.748 9.373 -0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.242 6.778 -1.568 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.907 7.179 -0.506 1.00 0.00 H new ATOM 659 N PRO A 44 10.959 10.178 -3.280 1.00 0.00 N ATOM 660 CA PRO A 44 12.081 10.432 -4.194 1.00 0.00 C ATOM 661 C PRO A 44 13.413 10.442 -3.430 1.00 0.00 C ATOM 662 O PRO A 44 13.749 11.420 -2.792 1.00 0.00 O ATOM 663 CB PRO A 44 11.799 11.853 -4.765 1.00 0.00 C ATOM 664 CG PRO A 44 10.739 12.501 -3.823 1.00 0.00 C ATOM 665 CD PRO A 44 10.111 11.343 -3.004 1.00 0.00 C ATOM 0 HA PRO A 44 12.160 9.667 -4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.711 12.449 -4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.426 11.794 -5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.203 13.235 -3.164 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.977 13.026 -4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.095 11.576 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.080 11.161 -3.306 1.00 0.00 H new ATOM 673 N ALA A 45 14.143 9.367 -3.502 1.00 0.00 N ATOM 674 CA ALA A 45 15.419 9.320 -2.798 1.00 0.00 C ATOM 675 C ALA A 45 16.095 8.079 -3.178 1.00 0.00 C ATOM 676 O ALA A 45 16.638 7.987 -4.262 1.00 0.00 O ATOM 677 CB ALA A 45 15.156 9.341 -1.279 1.00 0.00 C ATOM 0 H ALA A 45 13.898 8.525 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 45 16.042 10.176 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 45 16.105 9.306 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.624 10.255 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.552 8.477 -1.002 1.00 0.00 H new ATOM 683 N THR A 46 16.054 7.113 -2.335 1.00 0.00 N ATOM 684 CA THR A 46 16.714 5.881 -2.696 1.00 0.00 C ATOM 685 C THR A 46 16.383 4.763 -1.699 1.00 0.00 C ATOM 686 O THR A 46 17.121 3.809 -1.564 1.00 0.00 O ATOM 687 CB THR A 46 18.244 6.169 -2.718 1.00 0.00 C ATOM 688 OG1 THR A 46 18.806 5.164 -3.534 1.00 0.00 O ATOM 689 CG2 THR A 46 18.896 5.954 -1.333 1.00 0.00 C ATOM 0 H THR A 46 15.595 7.131 -1.424 1.00 0.00 H new ATOM 0 HA THR A 46 16.372 5.539 -3.673 1.00 0.00 H new ATOM 0 HB THR A 46 18.405 7.196 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 46 18.557 4.283 -3.185 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.963 6.166 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 46 18.435 6.623 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 46 18.750 4.921 -1.019 1.00 0.00 H new ATOM 697 N ASN A 47 15.273 4.905 -1.027 1.00 0.00 N ATOM 698 CA ASN A 47 14.879 3.868 -0.041 1.00 0.00 C ATOM 699 C ASN A 47 14.330 2.640 -0.749 1.00 0.00 C ATOM 700 O ASN A 47 13.456 1.967 -0.243 1.00 0.00 O ATOM 701 CB ASN A 47 13.784 4.451 0.865 1.00 0.00 C ATOM 702 CG ASN A 47 14.410 5.463 1.828 1.00 0.00 C ATOM 703 OD1 ASN A 47 13.940 5.658 2.932 1.00 0.00 O ATOM 704 ND2 ASN A 47 15.469 6.125 1.452 1.00 0.00 N ATOM 0 H ASN A 47 14.628 5.690 -1.119 1.00 0.00 H new ATOM 0 HA ASN A 47 15.752 3.576 0.542 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.015 4.933 0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.296 3.653 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.898 6.802 2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.868 5.966 0.527 1.00 0.00 H new ATOM 711 N GLN A 48 14.853 2.379 -1.916 1.00 0.00 N ATOM 712 CA GLN A 48 14.384 1.198 -2.687 1.00 0.00 C ATOM 713 C GLN A 48 12.894 1.308 -2.989 1.00 0.00 C ATOM 714 O GLN A 48 12.069 1.196 -2.105 1.00 0.00 O ATOM 715 CB GLN A 48 14.637 -0.071 -1.847 1.00 0.00 C ATOM 716 CG GLN A 48 14.608 -1.293 -2.766 1.00 0.00 C ATOM 717 CD GLN A 48 14.687 -2.567 -1.918 1.00 0.00 C ATOM 718 OE1 GLN A 48 14.425 -3.656 -2.386 1.00 0.00 O ATOM 719 NE2 GLN A 48 15.045 -2.473 -0.665 1.00 0.00 N ATOM 0 H GLN A 48 15.583 2.932 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 48 14.927 1.150 -3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.601 -0.002 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.878 -0.166 -1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.694 -1.294 -3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.443 -1.256 -3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.267 -1.561 -0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.103 -3.311 -0.087 1.00 0.00 H new ATOM 728 N CYS A 49 12.578 1.525 -4.250 1.00 0.00 N ATOM 729 CA CYS A 49 11.140 1.651 -4.660 1.00 0.00 C ATOM 730 C CYS A 49 10.722 0.468 -5.537 1.00 0.00 C ATOM 731 O CYS A 49 11.417 0.102 -6.462 1.00 0.00 O ATOM 732 CB CYS A 49 10.985 2.963 -5.466 1.00 0.00 C ATOM 733 SG CYS A 49 10.849 4.502 -4.518 1.00 0.00 S ATOM 0 H CYS A 49 13.253 1.620 -5.009 1.00 0.00 H new ATOM 0 HA CYS A 49 10.507 1.661 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.841 3.052 -6.135 1.00 0.00 H new ATOM 0 HB3 CYS A 49 10.098 2.872 -6.093 1.00 0.00 H new ATOM 738 N THR A 50 9.584 -0.094 -5.225 1.00 0.00 N ATOM 739 CA THR A 50 9.085 -1.254 -6.014 1.00 0.00 C ATOM 740 C THR A 50 7.683 -1.649 -5.547 1.00 0.00 C ATOM 741 O THR A 50 7.288 -1.337 -4.442 1.00 0.00 O ATOM 742 CB THR A 50 10.045 -2.442 -5.790 1.00 0.00 C ATOM 743 OG1 THR A 50 11.130 -2.216 -6.663 1.00 0.00 O ATOM 744 CG2 THR A 50 9.430 -3.764 -6.286 1.00 0.00 C ATOM 0 H THR A 50 8.980 0.201 -4.458 1.00 0.00 H new ATOM 0 HA THR A 50 9.041 -0.986 -7.070 1.00 0.00 H new ATOM 0 HB THR A 50 10.291 -2.512 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.061 -1.316 -7.045 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.132 -4.579 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.505 -3.961 -5.744 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.217 -3.689 -7.352 1.00 0.00 H new ATOM 752 N ILE A 51 6.957 -2.338 -6.400 1.00 0.00 N ATOM 753 CA ILE A 51 5.572 -2.765 -6.022 1.00 0.00 C ATOM 754 C ILE A 51 5.209 -4.082 -6.703 1.00 0.00 C ATOM 755 O ILE A 51 5.196 -4.186 -7.913 1.00 0.00 O ATOM 756 CB ILE A 51 4.580 -1.648 -6.469 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.634 -0.450 -5.485 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.110 -2.208 -6.529 1.00 0.00 C ATOM 759 CD1 ILE A 51 4.257 -0.886 -4.040 1.00 0.00 C ATOM 0 H ILE A 51 7.261 -2.620 -7.332 1.00 0.00 H new ATOM 0 HA ILE A 51 5.517 -2.917 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 51 4.876 -1.311 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.636 -0.020 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.951 0.330 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.431 -1.415 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.063 -3.030 -7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.817 -2.567 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.305 -0.023 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.246 -1.293 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.956 -1.648 -3.696 1.00 0.00 H new ATOM 771 N ASP A 52 4.919 -5.061 -5.890 1.00 0.00 N ATOM 772 CA ASP A 52 4.549 -6.391 -6.423 1.00 0.00 C ATOM 773 C ASP A 52 3.770 -7.170 -5.362 1.00 0.00 C ATOM 774 O ASP A 52 2.807 -6.671 -4.814 1.00 0.00 O ATOM 775 CB ASP A 52 5.841 -7.158 -6.770 1.00 0.00 C ATOM 776 CG ASP A 52 6.634 -6.372 -7.818 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.089 -6.208 -8.897 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.739 -5.981 -7.480 1.00 0.00 O ATOM 0 H ASP A 52 4.924 -4.990 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 52 3.929 -6.275 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.444 -7.301 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.597 -8.150 -7.151 1.00 0.00 H new ATOM 783 N LYS A 53 4.203 -8.378 -5.085 1.00 0.00 N ATOM 784 CA LYS A 53 3.498 -9.211 -4.058 1.00 0.00 C ATOM 785 C LYS A 53 4.310 -9.269 -2.761 1.00 0.00 C ATOM 786 O LYS A 53 5.176 -10.109 -2.611 1.00 0.00 O ATOM 787 CB LYS A 53 3.353 -10.643 -4.625 1.00 0.00 C ATOM 788 CG LYS A 53 4.616 -10.998 -5.421 1.00 0.00 C ATOM 789 CD LYS A 53 4.658 -12.509 -5.659 1.00 0.00 C ATOM 790 CE LYS A 53 5.976 -12.868 -6.349 1.00 0.00 C ATOM 791 NZ LYS A 53 5.940 -14.272 -6.846 1.00 0.00 N ATOM 0 H LYS A 53 5.010 -8.821 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 53 2.524 -8.773 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.207 -11.356 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.474 -10.706 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.620 -10.468 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.504 -10.680 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.571 -13.042 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.814 -12.817 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.155 -12.186 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.804 -12.744 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.842 -14.499 -7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.791 -14.920 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.162 -14.379 -7.528 1.00 0.00 H new ATOM 805 N ASN A 54 4.016 -8.368 -1.839 1.00 0.00 N ATOM 806 CA ASN A 54 4.761 -8.356 -0.548 1.00 0.00 C ATOM 807 C ASN A 54 3.802 -8.139 0.617 1.00 0.00 C ATOM 808 O ASN A 54 3.163 -9.064 1.074 1.00 0.00 O ATOM 809 CB ASN A 54 5.771 -7.195 -0.585 1.00 0.00 C ATOM 810 CG ASN A 54 6.910 -7.545 -1.545 1.00 0.00 C ATOM 811 OD1 ASN A 54 7.721 -8.408 -1.275 1.00 0.00 O ATOM 812 ND2 ASN A 54 7.007 -6.899 -2.675 1.00 0.00 N ATOM 0 H ASN A 54 3.297 -7.651 -1.933 1.00 0.00 H new ATOM 0 HA ASN A 54 5.269 -9.311 -0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.277 -6.278 -0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.166 -7.010 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.761 -7.120 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.329 -6.173 -2.907 1.00 0.00 H new ATOM 819 N ARG A 55 3.698 -6.905 1.053 1.00 0.00 N ATOM 820 CA ARG A 55 2.786 -6.583 2.195 1.00 0.00 C ATOM 821 C ARG A 55 2.177 -5.200 2.018 1.00 0.00 C ATOM 822 O ARG A 55 1.166 -5.026 1.367 1.00 0.00 O ATOM 823 CB ARG A 55 3.632 -6.599 3.514 1.00 0.00 C ATOM 824 CG ARG A 55 3.740 -8.039 4.065 1.00 0.00 C ATOM 825 CD ARG A 55 2.502 -8.368 4.916 1.00 0.00 C ATOM 826 NE ARG A 55 2.553 -9.805 5.306 1.00 0.00 N ATOM 827 CZ ARG A 55 2.504 -10.722 4.379 1.00 0.00 C ATOM 828 NH1 ARG A 55 1.454 -10.781 3.605 1.00 0.00 N ATOM 829 NH2 ARG A 55 3.506 -11.549 4.256 1.00 0.00 N ATOM 0 H ARG A 55 4.205 -6.109 0.667 1.00 0.00 H new ATOM 0 HA ARG A 55 1.981 -7.317 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.628 -6.201 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.169 -5.951 4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.824 -8.748 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.643 -8.141 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.477 -7.737 5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.592 -8.162 4.353 1.00 0.00 H new ATOM 0 HE ARG A 55 2.626 -10.070 6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.690 -10.117 3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.398 -11.491 2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.310 -11.472 4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.485 -12.272 3.537 1.00 0.00 H new ATOM 843 N ARG A 56 2.812 -4.265 2.606 1.00 0.00 N ATOM 844 CA ARG A 56 2.339 -2.857 2.526 1.00 0.00 C ATOM 845 C ARG A 56 3.357 -1.921 3.157 1.00 0.00 C ATOM 846 O ARG A 56 3.066 -0.773 3.432 1.00 0.00 O ATOM 847 CB ARG A 56 1.001 -2.744 3.298 1.00 0.00 C ATOM 848 CG ARG A 56 1.178 -3.251 4.771 1.00 0.00 C ATOM 849 CD ARG A 56 1.353 -2.058 5.728 1.00 0.00 C ATOM 850 NE ARG A 56 0.188 -1.139 5.579 1.00 0.00 N ATOM 851 CZ ARG A 56 0.042 -0.149 6.415 1.00 0.00 C ATOM 852 NH1 ARG A 56 1.098 0.523 6.786 1.00 0.00 N ATOM 853 NH2 ARG A 56 -1.153 0.137 6.852 1.00 0.00 N ATOM 0 H ARG A 56 3.660 -4.401 3.156 1.00 0.00 H new ATOM 0 HA ARG A 56 2.205 -2.578 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.661 -1.708 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.232 -3.330 2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.310 -3.840 5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.045 -3.908 4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.426 -2.409 6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.280 -1.530 5.505 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.489 -1.284 4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.017 0.270 6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.004 1.301 7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.955 -0.410 6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.286 0.908 7.506 1.00 0.00 H new ATOM 867 N LYS A 57 4.551 -2.435 3.362 1.00 0.00 N ATOM 868 CA LYS A 57 5.643 -1.604 3.982 1.00 0.00 C ATOM 869 C LYS A 57 6.803 -1.423 3.020 1.00 0.00 C ATOM 870 O LYS A 57 7.886 -1.039 3.415 1.00 0.00 O ATOM 871 CB LYS A 57 6.161 -2.336 5.234 1.00 0.00 C ATOM 872 CG LYS A 57 4.972 -2.775 6.093 1.00 0.00 C ATOM 873 CD LYS A 57 5.493 -3.480 7.350 1.00 0.00 C ATOM 874 CE LYS A 57 4.340 -4.233 8.024 1.00 0.00 C ATOM 875 NZ LYS A 57 4.047 -5.499 7.294 1.00 0.00 N ATOM 0 H LYS A 57 4.817 -3.391 3.128 1.00 0.00 H new ATOM 0 HA LYS A 57 5.238 -0.624 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.754 -3.203 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.816 -1.680 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.369 -1.910 6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.326 -3.446 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.291 -4.174 7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.919 -2.751 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.598 -4.455 9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.450 -3.604 8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.440 -6.106 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.558 -5.280 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.938 -5.995 7.088 1.00 0.00 H new ATOM 889 N SER A 58 6.560 -1.701 1.776 1.00 0.00 N ATOM 890 CA SER A 58 7.642 -1.549 0.766 1.00 0.00 C ATOM 891 C SER A 58 7.751 -0.097 0.336 1.00 0.00 C ATOM 892 O SER A 58 8.819 0.484 0.343 1.00 0.00 O ATOM 893 CB SER A 58 7.285 -2.404 -0.461 1.00 0.00 C ATOM 894 OG SER A 58 6.950 -3.672 0.086 1.00 0.00 O ATOM 0 H SER A 58 5.664 -2.026 1.413 1.00 0.00 H new ATOM 0 HA SER A 58 8.591 -1.868 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.450 -1.976 -1.016 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.124 -2.477 -1.153 1.00 0.00 H new ATOM 0 HG SER A 58 6.705 -4.286 -0.637 1.00 0.00 H new ATOM 900 N CYS A 59 6.637 0.464 -0.035 1.00 0.00 N ATOM 901 CA CYS A 59 6.629 1.877 -0.471 1.00 0.00 C ATOM 902 C CYS A 59 5.189 2.376 -0.550 1.00 0.00 C ATOM 903 O CYS A 59 4.528 2.231 -1.559 1.00 0.00 O ATOM 904 CB CYS A 59 7.310 1.964 -1.862 1.00 0.00 C ATOM 905 SG CYS A 59 8.896 2.803 -1.947 1.00 0.00 S ATOM 0 H CYS A 59 5.729 -0.001 -0.054 1.00 0.00 H new ATOM 0 HA CYS A 59 7.172 2.500 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.444 0.949 -2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.624 2.468 -2.543 1.00 0.00 H new ATOM 910 N GLN A 60 4.742 2.951 0.514 1.00 0.00 N ATOM 911 CA GLN A 60 3.363 3.465 0.542 1.00 0.00 C ATOM 912 C GLN A 60 3.074 4.409 -0.614 1.00 0.00 C ATOM 913 O GLN A 60 1.981 4.419 -1.139 1.00 0.00 O ATOM 914 CB GLN A 60 3.166 4.218 1.868 1.00 0.00 C ATOM 915 CG GLN A 60 3.499 3.279 3.031 1.00 0.00 C ATOM 916 CD GLN A 60 3.002 3.898 4.340 1.00 0.00 C ATOM 917 OE1 GLN A 60 2.321 4.903 4.346 1.00 0.00 O ATOM 918 NE2 GLN A 60 3.321 3.328 5.471 1.00 0.00 N ATOM 0 H GLN A 60 5.276 3.088 1.372 1.00 0.00 H new ATOM 0 HA GLN A 60 2.678 2.622 0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.808 5.098 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.138 4.570 1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.031 2.307 2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.575 3.110 3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.893 2.483 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.998 3.727 6.352 1.00 0.00 H new ATOM 927 N ALA A 61 4.041 5.182 -1.015 1.00 0.00 N ATOM 928 CA ALA A 61 3.767 6.113 -2.145 1.00 0.00 C ATOM 929 C ALA A 61 3.661 5.381 -3.447 1.00 0.00 C ATOM 930 O ALA A 61 2.654 5.483 -4.120 1.00 0.00 O ATOM 931 CB ALA A 61 4.853 7.194 -2.202 1.00 0.00 C ATOM 0 H ALA A 61 4.983 5.213 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 61 2.804 6.593 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.648 7.872 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.858 7.754 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.826 6.725 -2.349 1.00 0.00 H new ATOM 937 N CYS A 62 4.667 4.650 -3.813 1.00 0.00 N ATOM 938 CA CYS A 62 4.539 3.939 -5.088 1.00 0.00 C ATOM 939 C CYS A 62 3.294 3.076 -5.023 1.00 0.00 C ATOM 940 O CYS A 62 2.630 2.895 -6.004 1.00 0.00 O ATOM 941 CB CYS A 62 5.781 3.060 -5.336 1.00 0.00 C ATOM 942 SG CYS A 62 7.408 3.888 -5.401 1.00 0.00 S ATOM 0 H CYS A 62 5.540 4.520 -3.301 1.00 0.00 H new ATOM 0 HA CYS A 62 4.461 4.653 -5.908 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.820 2.305 -4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.635 2.532 -6.278 1.00 0.00 H new ATOM 947 N ARG A 63 2.981 2.579 -3.835 1.00 0.00 N ATOM 948 CA ARG A 63 1.774 1.733 -3.710 1.00 0.00 C ATOM 949 C ARG A 63 0.572 2.556 -4.114 1.00 0.00 C ATOM 950 O ARG A 63 -0.096 2.258 -5.085 1.00 0.00 O ATOM 951 CB ARG A 63 1.615 1.302 -2.235 1.00 0.00 C ATOM 952 CG ARG A 63 0.606 0.153 -2.150 1.00 0.00 C ATOM 953 CD ARG A 63 0.640 -0.437 -0.738 1.00 0.00 C ATOM 954 NE ARG A 63 -0.392 -1.507 -0.631 1.00 0.00 N ATOM 955 CZ ARG A 63 -0.212 -2.639 -1.257 1.00 0.00 C ATOM 956 NH1 ARG A 63 0.949 -2.882 -1.802 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.200 -3.490 -1.316 1.00 0.00 N ATOM 0 H ARG A 63 3.508 2.729 -2.975 1.00 0.00 H new ATOM 0 HA ARG A 63 1.860 0.851 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.577 0.987 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.276 2.145 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.396 0.514 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.847 -0.615 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.628 -0.845 -0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.451 0.343 -0.000 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.232 -1.356 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.698 -2.193 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.107 -3.761 -2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.093 -3.266 -0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.079 -4.379 -1.800 1.00 0.00 H new ATOM 971 N LEU A 64 0.316 3.590 -3.353 1.00 0.00 N ATOM 972 CA LEU A 64 -0.835 4.461 -3.668 1.00 0.00 C ATOM 973 C LEU A 64 -0.849 4.798 -5.147 1.00 0.00 C ATOM 974 O LEU A 64 -1.835 4.633 -5.821 1.00 0.00 O ATOM 975 CB LEU A 64 -0.666 5.775 -2.908 1.00 0.00 C ATOM 976 CG LEU A 64 -1.881 6.696 -3.160 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.198 5.984 -2.695 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.674 7.999 -2.339 1.00 0.00 C ATOM 0 H LEU A 64 0.857 3.861 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.755 3.946 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.566 5.576 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.250 6.273 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.966 6.924 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.050 6.640 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.328 5.058 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.133 5.759 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.519 8.668 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.601 7.754 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.756 8.490 -2.662 1.00 0.00 H new ATOM 990 N ARG A 65 0.254 5.293 -5.628 1.00 0.00 N ATOM 991 CA ARG A 65 0.296 5.637 -7.052 1.00 0.00 C ATOM 992 C ARG A 65 -0.029 4.401 -7.857 1.00 0.00 C ATOM 993 O ARG A 65 -0.690 4.476 -8.867 1.00 0.00 O ATOM 994 CB ARG A 65 1.725 6.144 -7.409 1.00 0.00 C ATOM 995 CG ARG A 65 1.798 7.675 -7.215 1.00 0.00 C ATOM 996 CD ARG A 65 1.191 8.403 -8.438 1.00 0.00 C ATOM 997 NE ARG A 65 1.800 7.875 -9.693 1.00 0.00 N ATOM 998 CZ ARG A 65 3.017 8.227 -10.013 1.00 0.00 C ATOM 999 NH1 ARG A 65 3.682 9.005 -9.203 1.00 0.00 N ATOM 1000 NH2 ARG A 65 3.527 7.790 -11.132 1.00 0.00 N ATOM 0 H ARG A 65 1.109 5.468 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.428 6.420 -7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.464 5.652 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.966 5.887 -8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.260 7.959 -6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.835 7.982 -7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.111 8.260 -8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.369 9.476 -8.360 1.00 0.00 H new ATOM 0 HE ARG A 65 1.271 7.245 -10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.251 9.328 -8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.633 9.290 -9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.977 7.184 -11.741 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.476 8.055 -11.398 1.00 0.00 H new ATOM 1014 N LYS A 66 0.448 3.271 -7.397 1.00 0.00 N ATOM 1015 CA LYS A 66 0.159 2.036 -8.140 1.00 0.00 C ATOM 1016 C LYS A 66 -1.284 1.686 -7.926 1.00 0.00 C ATOM 1017 O LYS A 66 -1.801 0.848 -8.610 1.00 0.00 O ATOM 1018 CB LYS A 66 1.070 0.867 -7.633 1.00 0.00 C ATOM 1019 CG LYS A 66 2.278 0.689 -8.584 1.00 0.00 C ATOM 1020 CD LYS A 66 3.219 1.908 -8.476 1.00 0.00 C ATOM 1021 CE LYS A 66 4.068 2.019 -9.749 1.00 0.00 C ATOM 1022 NZ LYS A 66 4.961 0.835 -9.891 1.00 0.00 N ATOM 0 H LYS A 66 1.013 3.164 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 66 0.359 2.188 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.420 1.079 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.496 -0.058 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.820 -0.222 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.930 0.578 -9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.636 2.818 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.865 1.805 -7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.418 2.097 -10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.666 2.930 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.621 0.990 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.499 0.698 -9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.388 -0.012 -10.081 1.00 0.00 H new ATOM 1036 N CYS A 67 -1.910 2.299 -6.920 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.342 1.990 -6.683 1.00 0.00 C ATOM 1038 C CYS A 67 -4.160 2.852 -7.617 1.00 0.00 C ATOM 1039 O CYS A 67 -5.216 2.471 -8.029 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.748 2.299 -5.232 1.00 0.00 C ATOM 1041 SG CYS A 67 -3.239 1.125 -3.951 1.00 0.00 S ATOM 0 H CYS A 67 -1.489 2.975 -6.283 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.515 0.929 -6.863 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.344 3.277 -4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.834 2.384 -5.198 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.660 1.537 -2.792 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.657 4.032 -7.906 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.405 4.934 -8.829 1.00 0.00 C ATOM 1049 C TYR A 68 -4.051 4.555 -10.268 1.00 0.00 C ATOM 1050 O TYR A 68 -4.872 4.654 -11.159 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.954 6.416 -8.623 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.323 6.996 -7.222 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.601 6.857 -6.673 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.391 7.776 -6.537 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.925 7.494 -5.470 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.734 8.412 -5.356 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.986 8.272 -4.819 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.289 8.886 -3.638 1.00 0.00 O ATOM 0 H TYR A 68 -2.776 4.400 -7.547 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.472 4.834 -8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.875 6.480 -8.760 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.411 7.036 -9.395 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.341 6.255 -7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.392 7.885 -6.932 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.912 7.377 -5.048 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.004 9.027 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.124 9.389 -3.736 1.00 0.00 H new ATOM 1068 N GLU A 69 -2.817 4.122 -10.468 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.391 3.732 -11.841 1.00 0.00 C ATOM 1070 C GLU A 69 -3.353 2.719 -12.374 1.00 0.00 C ATOM 1071 O GLU A 69 -3.462 2.474 -13.559 1.00 0.00 O ATOM 1072 CB GLU A 69 -0.993 3.105 -11.744 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.336 3.127 -13.125 1.00 0.00 C ATOM 1074 CD GLU A 69 0.940 2.284 -13.093 1.00 0.00 C ATOM 1075 OE1 GLU A 69 1.670 2.447 -12.132 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.114 1.527 -14.034 1.00 0.00 O ATOM 0 H GLU A 69 -2.105 4.027 -9.744 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.371 4.599 -12.502 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.383 3.656 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.065 2.081 -11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.025 2.736 -13.874 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.101 4.152 -13.412 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.015 2.172 -11.461 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.029 1.142 -11.741 1.00 0.00 C ATOM 1085 C VAL A 70 -6.134 1.697 -12.555 1.00 0.00 C ATOM 1086 O VAL A 70 -6.488 1.211 -13.611 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.643 0.788 -10.387 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.768 -0.253 -10.535 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.576 0.262 -9.460 1.00 0.00 C ATOM 0 H VAL A 70 -3.905 2.393 -10.471 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.572 0.303 -12.265 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.076 1.696 -9.967 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.183 -0.482 -9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.553 0.148 -11.176 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.366 -1.163 -10.980 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.022 0.012 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.125 -0.630 -9.894 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.809 1.024 -9.318 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.647 2.719 -12.016 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.771 3.447 -12.632 1.00 0.00 C ATOM 1101 C GLY A 71 -8.983 3.217 -11.739 1.00 0.00 C ATOM 1102 O GLY A 71 -10.113 3.286 -12.180 1.00 0.00 O ATOM 0 H GLY A 71 -6.329 3.112 -11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.546 4.510 -12.712 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.960 3.084 -13.642 1.00 0.00 H new ATOM 1106 N MET A 72 -8.707 2.940 -10.466 1.00 0.00 N ATOM 1107 CA MET A 72 -9.835 2.696 -9.510 1.00 0.00 C ATOM 1108 C MET A 72 -10.370 4.012 -9.008 1.00 0.00 C ATOM 1109 O MET A 72 -10.025 5.068 -9.499 1.00 0.00 O ATOM 1110 CB MET A 72 -9.355 1.851 -8.238 1.00 0.00 C ATOM 1111 CG MET A 72 -7.837 1.959 -8.004 1.00 0.00 C ATOM 1112 SD MET A 72 -7.270 2.023 -6.300 1.00 0.00 S ATOM 1113 CE MET A 72 -8.057 0.490 -5.794 1.00 0.00 C ATOM 0 H MET A 72 -7.770 2.876 -10.068 1.00 0.00 H new ATOM 0 HA MET A 72 -10.601 2.138 -10.048 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.883 2.202 -7.351 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.625 0.804 -8.377 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.359 1.106 -8.487 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.480 2.855 -8.513 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.691 0.201 -4.809 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.137 0.632 -5.753 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.821 -0.295 -6.513 1.00 0.00 H new ATOM 1123 N MET A 73 -11.201 3.915 -8.044 1.00 0.00 N ATOM 1124 CA MET A 73 -11.787 5.101 -7.464 1.00 0.00 C ATOM 1125 C MET A 73 -12.535 4.708 -6.230 1.00 0.00 C ATOM 1126 O MET A 73 -13.322 3.783 -6.250 1.00 0.00 O ATOM 1127 CB MET A 73 -12.738 5.761 -8.478 1.00 0.00 C ATOM 1128 CG MET A 73 -13.531 4.680 -9.222 1.00 0.00 C ATOM 1129 SD MET A 73 -14.886 5.233 -10.287 1.00 0.00 S ATOM 1130 CE MET A 73 -15.499 3.594 -10.747 1.00 0.00 C ATOM 0 H MET A 73 -11.504 3.035 -7.626 1.00 0.00 H new ATOM 0 HA MET A 73 -11.007 5.818 -7.206 1.00 0.00 H new ATOM 0 HB2 MET A 73 -13.421 6.437 -7.964 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.169 6.361 -9.188 1.00 0.00 H new ATOM 0 HG2 MET A 73 -12.832 4.109 -9.834 1.00 0.00 H new ATOM 0 HG3 MET A 73 -13.942 3.993 -8.482 1.00 0.00 H new ATOM 0 HE1 MET A 73 -16.353 3.700 -11.416 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.709 3.039 -11.253 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.805 3.055 -9.850 1.00 0.00 H new ATOM 1140 N LYS A 74 -12.229 5.389 -5.167 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.888 5.114 -3.860 1.00 0.00 C ATOM 1142 C LYS A 74 -14.289 4.495 -4.021 1.00 0.00 C ATOM 1143 O LYS A 74 -14.691 3.644 -3.254 1.00 0.00 O ATOM 1144 CB LYS A 74 -13.016 6.455 -3.046 1.00 0.00 C ATOM 1145 CG LYS A 74 -12.939 7.692 -3.987 1.00 0.00 C ATOM 1146 CD LYS A 74 -14.177 7.735 -4.921 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.509 9.194 -5.275 1.00 0.00 C ATOM 1148 NZ LYS A 74 -13.272 9.934 -5.652 1.00 0.00 N ATOM 0 H LYS A 74 -11.538 6.139 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.265 4.393 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.961 6.466 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.221 6.510 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.890 8.606 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.027 7.649 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.979 7.166 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.031 7.266 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.222 9.221 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.986 9.681 -4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.525 10.762 -6.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.780 10.248 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.647 9.309 -6.200 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.988 4.944 -5.012 1.00 0.00 N ATOM 1163 CA GLY A 75 -16.357 4.408 -5.250 1.00 0.00 C ATOM 1164 C GLY A 75 -17.047 5.187 -6.372 1.00 0.00 C ATOM 1165 O GLY A 75 -18.220 4.921 -6.573 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.362 6.003 -6.965 1.00 0.00 O ATOM 0 H GLY A 75 -14.677 5.658 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.300 3.352 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.946 4.477 -4.335 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -2.930 -5.107 -4.479 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.751 4.407 -3.586 1.00 0.00 ZN